SCHEMBL8202576

SCHEMBL8202576

COc1cc(F)cc2c(CCN)c[nH]c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.61
MPO P05164 2/20 0.50
TRPM8 Q7Z2W7 2/20 0.50
HTR1A P08908 3/20 0.49
KMT2A Q03164 2/20 0.49
SLC6A4 P31645 1/20 0.48
GPR84 Q9NQS5 1/20 0.47
MAPT P10636 2/20 0.47
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2C P28335 1/20 0.47
HTR7 P34969 1/20 0.47
HTR6 P50406 1/20 0.47
HTR4 Q13639 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46

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
SCHEMBL11358975 0.84 HTR2A (0.62) HTR2ATRPM8HTR1AKMT2AMAPT
SCHEMBL2542732 0.81 GPR84 (0.71) HTR2AMPOTRPM8HTR1AKMT2A
SCHEMBL30579356 0.81 GPR84 (0.71) HTR2AMPOTRPM8HTR1AKMT2A
Hydrochloric Acid SCHEMBL7819150 0.80 GPR84 (0.69) HTR2AMPOTRPM8HTR1AKMT2A
SCHEMBL25282170 0.78 HTR2A (0.58) HTR2AMPOTRPM8HTR1AKMT2A
SCHEMBL31077723 0.78 HTR2A (0.58) HTR2AMPOTRPM8HTR1AKMT2A
SCHEMBL20258550 0.77 HTR2A (0.58) HTR2AMPOTRPM8HTR1AKMT2A
SCHEMBL1913651 0.77 HTR2A (0.54) HTR2ATRPM8HTR1AKMT2AMAPT
SCHEMBL10909654 0.77 HTR2A (0.57) HTR2AMPOTRPM8HTR1AKMT2A
SCHEMBL25423543 0.77 HTR2A (0.61) HTR2AMPOTRPM8HTR1AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6090945-A HIGH AFFINITY FOR THE 5-HT1C RECEPTOR. ELI LILLY AND COMPANY (US) 2000-07-18 US disclosed
US-5861425-A CENTRAL NERVOUS SYSTEM DISORDERS FOR TREATMENT OF ANXIETY, ELI LILLY AND COMPANY (US) 1999-01-19 US disclosed
US-5760051-A CENTRAL NERVOUS SYSTEM ELI LILLY AND COMPANY (US) 1998-06-02 US disclosed
US-5635528-A RECEPTOR BINDING MODULATORS, FOR CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1997-06-03 US disclosed
US-5508284-A TREATING 5-HYDROXYTRYPTAMINE MODULATION ELI LILLY AND COMPANY (US) 1996-04-16 US disclosed
US-5500431-A ANTISEROTONINE AGENTS; SEXUAL AND EATING DISORDERS ELI LILLY AND COMPANY (US) 1996-03-19 US disclosed
WO-1994023720-A1 TETRAHYDRO-BETA-CARBOLINES ELI LILLY AND COMPANY (US) 1994-10-27 WO disclosed
EP-0620222-A2 Tetrahydro-beta-carbolines ELI LILLY AND COMPANY (US) 1994-10-19 EP disclosed