SCHEMBL11254239

SCHEMBL11254239

O=C(O)Cc1c(-c2ccccc2)nn(C2CCCCC2)c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.47
KCNJ6 P48051 3/20 0.43
KCNJ3 P48549 3/20 0.43
KCNJ5 P48544 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
OGFRL1 Q5TC84 1/20 0.43
CNR2 P34972 1/20 0.43
FABP3 P05413 3/20 0.42
FABP4 P15090 3/20 0.42
PTGDR2 Q9Y5Y4 5/20 0.41
ESR1 P03372 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
HPGD P15428 1/20 0.40
CMKLR1 Q99788 1/20 0.40

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
SCHEMBL11245710 0.75 PTGDR2 (0.51) PTGDR2
SCHEMBL5222340 0.73 ESR1 (0.49) OPRM1OPRD1OPRK1ESR1HTR2A
SCHEMBL5216593 0.73 ESR1 (0.50) CNR1CNR2ESR1CMKLR1
SCHEMBL5217448 0.73 ESR1 (0.50) CNR1CNR2ESR1CMKLR1
Trifezolac SCHEMBL11182574 0.72 KDM4E (0.51) PTGDR2ESR1
SCHEMBL11541106 0.71 PTGDR2 (0.54) PTGDR2
SCHEMBL5220933 0.71 ESR1 (0.49) CNR1CNR2ESR1CMKLR1
SCHEMBL11254272 0.70 PTGDR2 (0.67) PTGDR2
SCHEMBL11248019 0.70 CYP1A2 (0.44) CNR1CNR2PTGDR2
SCHEMBL5247339 0.69 ESR1 (0.45) ESR1HTR2AHTR2CHTR2BCMKLR1

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
US-4325962-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIDYRETICS BYK-GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-04-20 US disclosed
US-4146721-A ANALGESICS, ANTIINFLAMMATORY AGENTS AND ANTIPYRETICS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1979-03-27 US disclosed