SCHEMBL8067779

SCHEMBL8067779

c1ccc2c(c1)C1CC1c1ccccc1C2N1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.42
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADRB1 P08588 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
ACHE P22303 2/20 0.37
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
MEN1 O00255 1/20 0.35
HTR2C P28335 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL25579654 0.83 TAAR1 (0.44) TAAR1KMT2AHPGDSMN1; SMN2ADRB1
SCHEMBL1798685 0.81 CYP1A2 (0.53) TAAR1KMT2ASMN1; SMN2MEN1HTR2C
Hydrochloric Acid SCHEMBL6167962 0.79 CYP1A2 (0.52) TAAR1KMT2AHPGDSMN1; SMN2HTR2C
SCHEMBL6161969 0.78 TAAR1 (0.58) TAAR1FNTAFNTBDRD2DRD1
SCHEMBL8239748 0.78 TAAR1 (0.50) TAAR1KMT2AHPGDSMN1; SMN2FNTA
SCHEMBL8118171 0.78 OPRM1 (0.47) TAAR1KMT2AHPGDSMN1; SMN2ADRB1
SCHEMBL6669711 0.77 TAAR1 (0.40) TAAR1KMT2AHPGDSMN1; SMN2ADRB1
SCHEMBL1524562 0.76 MAPT (0.44) TAAR1KMT2AHPGDSMN1; SMN2ADRB1
SCHEMBL8446859 0.76 KDM1A (0.44) TAAR1KMT2AHPGDSMN1; SMN2ADRB1
SCHEMBL8331102 0.75 ALDH1A1 (0.36) SMN1; SMN2ACHE

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6087365-A TREATING DRUG-RESISTANT MALARIA IN A MAMMAL ELI LILLY AND COMPANY 2000-07-11 US disclosed
US-5889007-A CHEMISENSITIZING AGENTS; CANCER THERAPY DRUG RESISTANCE SYNTEX (U.S.A.) INC. (US) 1999-03-30 US disclosed
US-5874434-A SENSITIZERS FOR CANCER DRUGS SYNTEX (U.S.A.) INC. (US) 1999-02-23 US disclosed
EP-0695293-B1 10,11-METHANODIBENZOSUBERANE DERIVATIVES USED AS CHEMOSENSITIZING AGENTS SYNTEX INC (US) 1998-10-14 EP disclosed
EP-0866063-A1 10, 11-Methanodibenzosuberane derivatives used as chemosensitizing agents SYNTEX (U.S.A.) INC. (US) 1998-09-23 EP disclosed
US-5654304-A CHEMOSENSITIZING AGENTS; CANCER THERAPY; DRUG RESISTANCE SYNTEX (U.S.A.) INC. (US) 1997-08-05 US disclosed
US-5643909-A CHEMICAL SENSITIZERS FOR CANCER CHEMOTHERAPY FOR MULTIDRUG RESISTANCE SYNTEX (U.S.A.) INC. (US) 1997-07-01 US disclosed
EP-0695293-A1 10,11-METHANODIBENZOSUBERANE DERIVATIVES USED AS CHEMOSENSITIZING AGENTS SYNTEX (U.S.A.) INC. (US) 1996-02-07 EP disclosed
WO-1994024107-A1 10,11-METHANODIBENZOSUBERANE DERIVATIVES USED AS CHEMOSENSITIZING AGENTS SYNTEX (U.S.A.) INC. (US) 1994-10-27 WO disclosed