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SCHEMBL4050445

SCHEMBL4050445

CC(C)(C)[C@H](NC(=O)c1nn(CC2CCCCC2)c2ccc(F)cc12)C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 10/20 0.59
▸ CNR2 P34972 7/20 0.50
▸ KDM4C Q9H3R0 3/20 0.45
▸ ROCK1 Q13464 1/20 0.39
▸ P2RX7 Q99572 1/20 0.38
▸ HTR2C P28335 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ HTR2A P28223 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
SCHEMBL13691249 1.00 CNR1 (0.59) CNR1CNR2KDM4CROCK1P2RX7
SCHEMBL4049662 0.93 CNR1 (0.59) CNR1CNR2KDM4CROCK1P2RX7
SCHEMBL4055909 0.91 CNR1 (0.49) CNR1CNR2KDM4CROCK1
SCHEMBL4053385 0.90 CNR1 (0.50) CNR1CNR2KDM4CROCK1HTR2C
SCHEMBL4053561 0.90 CNR1 (0.60) CNR1CNR2KDM4CHTR2CSLC6A4
SCHEMBL13691014 0.90 CNR1 (0.60) CNR1CNR2KDM4CHTR2CSLC6A4
SCHEMBL4055448 0.90 CNR1 (0.52) CNR1CNR2KDM4CROCK1P2RX7
SCHEMBL13690984 0.89 CNR1 (0.50) CNR1CNR2KDM4CROCK1P2RX7
SCHEMBL4050249 0.89 CNR1 (0.50) CNR1CNR2KDM4CROCK1P2RX7
SCHEMBL4049548 0.88 CNR1 (0.57) CNR1CNR2HTR2CSLC6A4

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