SCHEMBL7786912

SCHEMBL7786912

NCC(=O)c1ccc2c(c1)Cc1ccccc1-2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.66
HTR2C P28335 2/20 0.60
HTR2B P41595 2/20 0.60
DRD2 P14416 1/20 0.60
ADRA1D P25100 1/20 0.60
HTR2A P28223 1/20 0.60
HTR7 P34969 1/20 0.60
ADRA1A P35348 1/20 0.60
ADRA1B P35368 1/20 0.60
KDM4E B2RXH2 5/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
SRD5A1 P18405 1/20 0.53
MAPT P10636 7/20 0.50
RAB9A P51151 4/20 0.50
ALDH1A1 P00352 4/20 0.50
NPC1 O15118 3/20 0.50
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 2/20 0.50
CYP1A2 P05177 4/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10994744 0.85 SRD5A2 (0.68) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL18222925 0.84 SRD5A2 (0.66) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL10967373 0.84 SRD5A2 (0.66) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL10968921 0.84 SRD5A2 (0.66) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL28794488 0.83 PNMT (0.50) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL25188173 0.83 SRD5A2 (0.64) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL11844589 0.83 SRD5A2 (0.64) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL27363308 0.83 SRD5A2 (0.64) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL8535923 0.83 SRD5A2 (0.69) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL29773950 0.81 SRD5A2 (0.72) SRD5A2HTR2CHTR2BDRD2ADRA1D

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6251613-B1 SCREENING SAMPLE FOR PRESENCE OF PREFERENTIAL COMPLEX; INCUBATE IMMUNOGLOBULIN AND SERUM CONTAINING HEPATOCYTE PROTEIN, DETECT BOUND ANTIBODY COMPLEX SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 2001-06-26 US disclosed
EP-1016717-A1 NOVEL PROTEIN REMARKABLY EXPRESSED IN HEPATIC CANCER, GENE ENCODING THE SAME, ANTIBODY THERETO, AND METHOD FOR DETECTING THE EXPRESSION THEREOF SUMITOMO ELECTRIC INDUSTRIES, LIMITED (JP) 2000-07-05 EP disclosed
EP-0886142-A1 METHOD FOR DETECTING ANTI-GADII ANTIBODY AND METHOD FOR DIAGNOSING CANCER USING SAID DETECTION METHOD SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1998-12-23 EP disclosed
EP-0857780-A1 NOVEL PROTEINS REMARKABLY EXPRESSED IN LIVER CANCER, GENES ENCODING THE SAME, ANTIBODIES AGAINST THE SAME, AND METHOD FOR DETECTING THE EXPRESSION OF THE SAME SUMITOMO ELECTRIC INDUSTRIES, LTD (JP) 1998-08-12 EP disclosed
US-5674714-A CULTURE PRODUCT FROM STREPTOMYCES GROWN IN CULTURE CONTAINING SOYBEAN FLOUR, GENESTEIN OR GENISTIN AS PROMOTERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-10-07 US disclosed
EP-0419567-B1 PROCESS FOR INDUCING CYTOCHROME P-450 ENZYMES IN STREPTOMYCES-BACTERIA AND DETERMINING THE MUTAGENICITY OF CHEMICALS DU PONT (US) 1994-03-23 EP disclosed
EP-0273771-B1 MUTAGENIC EVALUATION METHOD E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-09-22 EP disclosed
US-5213971-A Process for inducing cytochrome P-450 enzymes in Streptomyces bacteria and determining the mutagenicity of chemicals E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-05-25 US disclosed
US-5169755-A Culturing on a soybean derivative; incubating an amino acid requiring mutant strain of Salmonella in presence of culture; relating ratio of amino acid sufficient revertant colonies to control E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-12-08 US disclosed
EP-0419567-A1 PROCESS FOR INDUCING CYTOCHROME P-450 ENZYMES IN STREPTOMYCES-BACTERIA AND DETERMINING THE MUTAGENICITY OF CHEMICALS. DU PONT (US) 1991-04-03 EP disclosed
WO-1989012686-A1 PROCESS FOR INDUCING CYTOCHROME P-450 ENZYMES IN STREPTOMYCES BACTERIA AND DETERMINING THE MUTAGENICITY OF CHEMICALS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-12-28 WO disclosed
EP-0347226-A1 Process for inducing cytochrome p-450 enzymes in streptomyces bacteria and determining the mutagenicity of chemicals E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-12-20 EP disclosed
EP-0273771-A2 Mutagenic evaluation method E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-07-06 EP disclosed