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SCHEMBL4049486

SCHEMBL4049486

CC(C)(C)[C@H](NC(=O)c1nn(CC(=O)c2ccc(C(F)(F)F)cc2)c2ccccc12)C(=O)NCC(N)=O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 8/20 0.51
▸ CNR2 P34972 4/20 0.51
▸ PTGER4 P35408 3/20 0.47
▸ CPT1A P50416 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CFD P00746 5/20 0.39
▸ AURKA O14965 1/20 0.39
▸ HTR3A P46098 1/20 0.37

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
SCHEMBL4055569 0.92 CNR1 (0.52) CNR1CNR2PTGER4CFDHTR3A
SCHEMBL13691023 0.92 CNR1 (0.52) CNR1CNR2PTGER4CFDHTR3A
SCHEMBL4053737 0.91 CNR1 (0.55) CNR1CNR2PTGER4POLBCFD
SCHEMBL13690632 0.91 CNR1 (0.53) CNR1CNR2PTGER4POLBCFD
SCHEMBL13690991 0.90 CNR1 (0.51) CNR1CNR2PTGER4CFD
SCHEMBL4051067 0.90 PTGER4 (0.49) CNR1CNR2PTGER4CFD
SCHEMBL4059046 0.89 PTGER4 (0.48) CNR1CNR2PTGER4CPT1APOLB
SCHEMBL12885463 0.88 PTGER4 (0.57) CNR1CNR2PTGER4CPT1A
SCHEMBL13689144 0.88 PTGER4 (0.57) CNR1CNR2PTGER4CPT1A
SCHEMBL4055410 0.88 CNR1 (0.50) CNR1CNR2PTGER4POLBCFD

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