SCHEMBL7694965

SCHEMBL7694965

N#Cc1cncc(C2(C#N)CC3CCC(C2)N3CC(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
BACE1 P56817 2/20 0.35
USP14 P54578 1/20 0.32
CHRNB2 P17787 9/20 0.32
CHRNA4 P43681 9/20 0.32
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
CHRNB4 P30926 7/20 0.31
CHRNA3 P32297 7/20 0.31
OPRL1 P41146 1/20 0.31
NPY5R Q15761 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
SCHEMBL17512202 0.91 CHRNA3 (0.32) CHRNB2CHRNA4CHRNB4CHRNA3OPRL1
SCHEMBL16116173 0.91 CHRNA3 (0.32) CHRNB2CHRNA4CHRNB4CHRNA3OPRL1
SCHEMBL17512205 0.91 CHRNA3 (0.32) CHRNB2CHRNA4CHRNB4CHRNA3OPRL1
SCHEMBL7701964 0.89 CYP11B1 (0.33) CYP11B1CYP11B2BACE1USP14
SCHEMBL16555300 0.88 OPRL1 (0.35) CYP11B1CYP11B2OPRL1
SCHEMBL379213 0.88 OPRL1 (0.35) CYP11B1CYP11B2OPRL1
SCHEMBL16565846 0.88 OPRL1 (0.35) CYP11B1CYP11B2OPRL1
SCHEMBL16565906 0.86 OPRL1 (0.31) OPRL1
SCHEMBL16554204 0.86 OPRL1 (0.31) OPRL1
SCHEMBL16565739 0.85 OPRL1 (0.30) OPRL1

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
WO-2002057262-A2 BICYCLIC AMINES AS INSECTICIDES SYNGENTA LIMITED (GB) 2002-07-25 WO disclosed