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SCHEMBL4055245

SCHEMBL4055245

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

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 6/20 0.49
▸ CNR2 P34972 3/20 0.49
▸ PTGER4 P35408 4/20 0.45
▸ ELANE P08246 1/20 0.41
▸ HTR3A P46098 5/20 0.41
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 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
SCHEMBL13691011 1.00 CNR1 (0.49) CNR1CNR2PTGER4ELANEHTR3A
SCHEMBL4059046 0.91 PTGER4 (0.48) CNR1CNR2PTGER4HTR3APOLB
SCHEMBL13690980 0.91 CNR1 (0.47) CNR1CNR2PTGER4HTR3APOLB
SCHEMBL4058848 0.89 PTGER4 (0.50) CNR1CNR2PTGER4HTR3APOLB
SCHEMBL13691041 0.89 PTGER4 (0.50) CNR1CNR2PTGER4HTR3APOLB
SCHEMBL4049978 0.89 CNR1 (0.47) CNR1CNR2PTGER4ELANEHTR3A
SCHEMBL4055569 0.89 CNR1 (0.52) CNR1CNR2PTGER4ELANEHTR3A
SCHEMBL13691023 0.89 CNR1 (0.52) CNR1CNR2PTGER4ELANEHTR3A
SCHEMBL1218523 0.88 CNR1 (0.62) CNR1CNR2PTGER4
SCHEMBL12885056 0.88 CNR1 (0.62) CNR1CNR2PTGER4

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