SCHEMBL7808564

SCHEMBL7808564

COc1cccc2ccn(CCN)c12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.39
HASPIN Q8TF76 1/20 0.39
HTR2C P28335 4/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
FABP4 P15090 1/20 0.36
HTR6 P50406 1/20 0.36
MCHR1 Q99705 1/20 0.36
CYP19A1 P11511 1/20 0.36
NQO2 P16083 1/20 0.36
HEXA P06865 1/20 0.35
HEXB P07686 1/20 0.35
HTR2A P28223 4/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
RECQL P46063 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
SCHEMBL15112345 0.83 CNR2 (0.56) CNR2
SCHEMBL18247631 0.81 CYP19A1 (0.43) CNR2HTR2CUSP2MAPK1FABP4
SCHEMBL23927911 0.81 HTR2C (0.54) HTR2CHTR6HEXAHEXBHTR2A
SCHEMBL5334673 0.81 CNR2 (0.43) CNR2USP2MAPK1
SCHEMBL8123525 0.80 CNR2 (0.37) CNR2HTR2CUSP2MAPK1FABP4
SCHEMBL7997702 0.78 HTR2C (0.61) HTR2CHTR2A
SCHEMBL28375979 0.76 KCNA3 (0.53) KDM4E
SCHEMBL1092786 0.75 CDK4 (0.45) CNR2HTR2CMAPK1FABP4MCHR1
SCHEMBL26660651 0.75 GRM2 (0.45) CNR2
SCHEMBL6919488 0.75 ALDH1A1 (0.41) USP2MAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749313-A4 METHOD FOR TREATING 5HT 2B RECEPTOR RELATED CONDITIONS LILLY CO ELI (US) 2001-10-24 EP disclosed
US-5736544-A ADMINISTERING TO TREAT MIGRAINE HEADACHES IN MAMMALS ELI LILLY AND COMPANY (US) 1998-04-07 US disclosed
US-5705519-A ADMINISTERING A SUBSTITUTED INDOLE TO A MAMMAL ELI LILLY AND COMPANY (US) 1998-01-06 US disclosed
US-5688807-A ANTIDEPRESSANTS, ANXIETY, UROGENITAL DISORDERS, HYPOTENSIVES, CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY (US) 1997-11-18 US disclosed
EP-0751770-A4 8-SUBSTITUTED TETRAHYDRO-BETA-CARBOLINES LILLY CO ELI (US) 1997-06-11 EP disclosed
US-5631265-A CHEMICAL INTERMEDIATES WITH CENTRAL NERVOUS SYSTEM ACTIVITY ELI LILLY AND COMPANY (US) 1997-05-20 US disclosed
EP-0751770-A1 8-SUBSTITUTED TETRAHYDRO-BETA-CARBOLINES ELI LILLY AND COMPANY (US) 1997-01-08 EP disclosed
EP-0749313-A1 METHOD FOR TREATING 5HT 2B RECEPTOR RELATED CONDITIONS ELI LILLY AND COMPANY (US) 1996-12-27 EP disclosed
WO-1995024200-A1 METHOD FOR TREATING 5HT2B RECEPTOR RELATED CONDITIONS ELI LILLY AND COMPANY (US) 1995-09-14 WO disclosed
WO-1995024191-A1 8-SUBSTITUTED TETRAHYDRO-BETA-CARBOLINES ELI LILLY AND COMPANY (US) 1995-09-14 WO disclosed