SCHEMBL6599181

SCHEMBL6599181

CC1(C)CNCC=C1c1c(F)ccc2ccsc12

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.30
CDK9 P50750 1/20 0.30

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
Hydrochloric Acid SCHEMBL6596950 0.99 CCNT1 (0.30) CCNT1CDK9
Hydrochloric Acid SCHEMBL6596773 0.76 CDK9 (0.34) CCNT1CDK9
Hydrochloric Acid SCHEMBL6594852 0.75 GSK3A (0.33)
Hydrochloric Acid SCHEMBL6338075 0.73 CDK9 (0.32) CCNT1CDK9
SCHEMBL6595033 0.62
SCHEMBL2158864 0.61 SIGMAR1 (0.44) CCNT1CDK9
SCHEMBL19756695 0.61 CYP2A6 (0.34)
Hydrochloric Acid SCHEMBL6333466 0.60 CDK9 (0.36) CCNT1CDK9
SCHEMBL19756662 0.60 CYP2A6 (0.36)
SCHEMBL6599236 0.58 PRKCI (0.36)

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
EP-1204660-B1 SEROTONERGIC BENZOTHIOPHENES LILLY CO ELI (US) 2004-10-20 EP claimed
EP-1204660-A1 SEROTONERGIC BENZOTHIOPHENES ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2001009126-A1 SEROTONERGIC BENZOTHIOPHENES ELI LILLY AND COMPANY (US) 2001-02-08 WO disclosed