SCHEMBL6180709

SCHEMBL6180709

COc1ccc(F)cc1C1=CCN(C(I)c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 19/20 0.51
CDK9 P50750 19/20 0.51
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL6179323 0.75 CCNT1 (0.67) CCNT1CDK9
SCHEMBL6178407 0.70 CCNT1 (0.50) CCNT1CDK9
SCHEMBL6178409 0.70 CCNT1 (0.54) CCNT1CDK9
SCHEMBL16050496 0.69 CCNT1 (1.00) CCNT1CDK9
Hydrochloric Acid SCHEMBL6177059 0.68 CCNT1 (0.49) CCNT1CDK9
SCHEMBL6918514 0.68 KDM4E (0.45) CCNT1CDK9
SCHEMBL2570271 0.67 CCNT1 (0.44) CCNT1CDK9
SCHEMBL4538783 0.67 CDK9 (0.55) CCNT1CDK9
SCHEMBL6608193 0.64 SYK (0.52)
SCHEMBL5547709 0.64 QDPR (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140830-B1 ARYLPIPERIDINE AND ARYL-1,2,5,6-TETRAHYDROPYRIDINE AMIDE DERIVATIVES HAVING 5HT1A RECEPTOR ACTIVITY WYETH CORP (US) 2005-05-04 EP disclosed