SCHEMBL7866446

SCHEMBL7866446

COc1cc2cc(C3=CCNCC3)[nH]c2cc1F

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 19/20 0.49
CDK9 P50750 19/20 0.49
QDPR P09417 1/20 0.43

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
SCHEMBL7870752 0.73 QDPR (0.42) CCNT1CDK9QDPR
SCHEMBL7868052 0.73 KDM4E (0.62) CCNT1CDK9QDPR
SCHEMBL27553177 0.71 QDPR (0.70) CCNT1CDK9QDPR
SCHEMBL16874849 0.71 QDPR (0.66) CCNT1CDK9QDPR
Hydrochloric Acid SCHEMBL979625 0.70 QDPR (0.64) CCNT1CDK9QDPR
SCHEMBL6116903 0.70 TNKS (0.48)
SCHEMBL4568259 0.70 KDM4E (0.57)
SCHEMBL5138986 0.69 SIGMAR1 (0.51) CCNT1CDK9QDPR
SCHEMBL6118011 0.69 KDM4E (0.54)
SCHEMBL5019939 0.69 QDPR (0.48) CCNT1CDK9QDPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077213-A2 Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 2001-02-21 EP disclosed
US-6046215-A A PIPERIDINYLBENZOTHIOPHENES USEFUL FOR TRATING BRAIN DISORDERS ELI LILLY AND COMPANY (US) 2000-04-04 US disclosed
US-5846982-A Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 1998-12-08 US disclosed
EP-0812826-A1 1H-indole and benzo(b)thiophene derivatives with 4-(1,2,3,6-tetra:hydro:pyridinyl)- and 4-piperidinyl-groups bound to the heterocyclic ring as inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1997-12-17 EP disclosed