SCHEMBL4059149

SCHEMBL4059149

CC(C)(C)[C@H](NC(=O)c1nn(CC(=O)N2CCSCC2)c2ccccc12)C(=O)NC1CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.48
CNR2 P34972 2/20 0.48
HTR3A P46098 6/20 0.44
F10 P00742 2/20 0.42
HTR4 Q13639 5/20 0.41
CFD P00746 4/20 0.39

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
SCHEMBL13691042 1.00 CNR1 (0.48) CNR1CNR2HTR3AF10HTR4
SCHEMBL13690544 0.91 CNR1 (0.49) CNR1CNR2HTR3AF10HTR4
SCHEMBL4053493 0.91 CNR1 (0.49) CNR1CNR2HTR3AF10HTR4
SCHEMBL13691037 0.88 CNR1 (0.63) CNR1CNR2HTR3ACFD
SCHEMBL13691043 0.87 CNR1 (0.47) CNR1CNR2HTR3AF10CFD
SCHEMBL13691045 0.86 CNR1 (0.51) CNR1CNR2HTR3ACFD
SCHEMBL4047866 0.86 CNR1 (0.51) CNR1CNR2HTR3ACFD
SCHEMBL13690945 0.83 CNR1 (0.52) CNR1CNR2HTR3AF10HTR4
SCHEMBL4060702 0.83 CNR1 (0.52) CNR1CNR2HTR3AF10HTR4
SCHEMBL4051967 0.82 CNR1 (0.51) CNR1CNR2HTR3AF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO claimed
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed