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SCHEMBL4053385

SCHEMBL4053385

CC(C)(C)[C@H](NC(=O)c1nn(CC2CCC(F)(F)CC2)c2ccc(F)cc12)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 8/20 0.50
▸ CNR2 P34972 7/20 0.48
▸ KDM4C Q9H3R0 3/20 0.39
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ PLK1 P53350 1/20 0.37
▸ CFD P00746 2/20 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
SCHEMBL4050445 0.90 CNR1 (0.59) CNR1CNR2KDM4CHTR2AHTR2C
SCHEMBL13691249 0.90 CNR1 (0.59) CNR1CNR2KDM4CHTR2AHTR2C
SCHEMBL4058358 0.90 CNR1 (0.44) CNR1CNR2KDM4CHTR2AHTR2C
SCHEMBL4049364 0.89 CNR1 (0.42) CNR1CNR2KDM4CHTR2AHTR2C
SCHEMBL4055909 0.89 CNR1 (0.49) CNR1CNR2KDM4CROCK1
SCHEMBL4047930 0.88 CNR1 (0.41) CNR1CNR2KDM4CHTR2AHTR2C
SCHEMBL4051599 0.86 CNR1 (0.40) CNR1CNR2KDM4CHTR2AHTR2C
SCHEMBL13690631 0.86 CNR1 (0.40) CNR1CNR2KDM4CHTR2AHTR2C
SCHEMBL4049662 0.83 CNR1 (0.59) CNR1CNR2KDM4CROCK1CFD
SCHEMBL4052559 0.83 CNR1 (0.48) CNR1CNR2

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