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SCHEMBL4056604

SCHEMBL4056604

CC(C)(C)[C@H](NC(=O)c1nn(CC2CCSCC2)c2ccccc12)C(=O)NCC(N)=O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 7/20 0.56
▸ CNR2 P34972 3/20 0.51
▸ ROCK2 O75116 3/20 0.41
▸ SSTR4 P31391 1/20 0.40
▸ CFD P00746 3/20 0.38
▸ HTR3A P46098 5/20 0.38
▸ HTR4 Q13639 1/20 0.36

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
SCHEMBL4054945 0.91 CNR1 (0.67) CNR1CNR2ROCK2SSTR4CFD
SCHEMBL4051743 0.91 CNR1 (0.67) CNR1CNR2ROCK2SSTR4CFD
SCHEMBL13691313 0.91 CNR1 (0.67) CNR1CNR2ROCK2SSTR4CFD
SCHEMBL4048720 0.90 CNR1 (0.56) CNR1CNR2ROCK2HTR3AHTR4
SCHEMBL13691040 0.89 CNR1 (0.64) CNR1CNR2ROCK2SSTR4HTR3A
SCHEMBL13690628 0.89 CNR1 (0.55) CNR1CNR2ROCK2SSTR4CFD
SCHEMBL13690689 0.89 CNR1 (0.52) CNR1CNR2ROCK2SSTR4HTR3A
SCHEMBL4050617 0.89 CNR1 (0.52) CNR1CNR2ROCK2SSTR4HTR3A
SCHEMBL13690975 0.88 CNR1 (0.56) CNR1CNR2ROCK2SSTR4CFD
SCHEMBL4047866 0.84 CNR1 (0.51) CNR1CNR2CFDHTR3A

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