SCHEMBL8350868

SCHEMBL8350868

CCCCNC(=O)/C(=C\C=C\c1cc2ccccc2[nH]1)OC

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATP6V1B1 P15313 5/20 0.67
DRD2 P14416 1/20 0.52
DRD3 P35462 1/20 0.52
ATP6AP1 Q15904 1/20 0.46
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
AKR1C3 P42330 1/20 0.38
HTR2C P28335 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
ACKR3 P25106 1/20 0.38

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
SCHEMBL8350872 1.00 ATP6V1B1 (0.67) ATP6V1B1DRD2DRD3ATP6AP1KDM4E
SCHEMBL8350863 1.00 ATP6V1B1 (0.67) ATP6V1B1DRD2DRD3ATP6AP1KDM4E
SCHEMBL6291678 0.90 ATP6V1B1 (0.75) ATP6V1B1DRD2DRD3ATP6AP1KDM4E
SCHEMBL6291675 0.90 ATP6V1B1 (0.75) ATP6V1B1DRD2DRD3ATP6AP1KDM4E
SCHEMBL6291679 0.90 ATP6V1B1 (0.75) ATP6V1B1DRD2DRD3ATP6AP1KDM4E
SCHEMBL8346962 0.84 ATP6V1B1 (0.68) ATP6V1B1ATP6AP1KDM4EALDH1A1ACKR3
SCHEMBL8346964 0.84 ATP6V1B1 (0.68) ATP6V1B1ATP6AP1KDM4EALDH1A1ACKR3
SCHEMBL8346958 0.84 ATP6V1B1 (0.68) ATP6V1B1ATP6AP1KDM4EALDH1A1ACKR3
SCHEMBL8343510 0.81 ATP6V1B1 (0.71) ATP6V1B1ATP6AP1KDM4EALDH1A1MAPT
SCHEMBL8343513 0.81 ATP6V1B1 (0.71) ATP6V1B1ATP6AP1KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5981525-A FOR THERAPY OR PROPHYLAXIS OF OSTEOPOROSIS,TUMOURS, ULCERS, AUTOIMMUNE DISEASES, LIPIDEMIC DISORDERS, HYPERCHOLESTEROLEMIC AND ATHEROSCLEROTIC DISEASES, AIDS ALZHEIMER'S DISEASE SMITHKLINE BEECHAM CORPORATION (US) 1999-11-09 US disclosed
EP-0802902-A1 INDOLE DERIVATIVES USEFUL IN THE TREATMENT OF OSTEOPOROSIS Smithkline Beecham S.p.A. (IT) 1997-10-29 EP disclosed
WO-1996021644-A1 INDOLE DERIVATIVES USEFUL IN THE TREATMENT OF OSTEOPOROSIS SMITHKLINE BEECHAM S.P.A. (IT) 1996-07-18 WO disclosed