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SCHEMBL4749113

SCHEMBL4749113

CN(C)C(=O)CN1C[C@H](C(=O)c2ccccc2)C(c2cccc(CN)c2)[C@H](C(=O)c2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.41
▸ OPRK1 P41145 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ RORC P51449 1/20 0.40
▸ TPSAB1 Q15661 4/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ LOXL2 Q9Y4K0 1/20 0.36
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35

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
SCHEMBL4022928 0.90 RORC (0.41) OPRM1OPRK1RORCOPRD1GRIN1
SCHEMBL4022926 0.90 RORC (0.41) OPRM1OPRK1RORCOPRD1GRIN1
SCHEMBL4026663 0.90 RORC (0.41) OPRM1RORCOPRD1GRIN1GRIN2B
SCHEMBL4026664 0.90 RORC (0.41) OPRM1RORCOPRD1GRIN1GRIN2B
SCHEMBL4749047 0.87 PARP1 (0.43) OPRM1OPRK1OPRD1
SCHEMBL4749038 0.87 PARP1 (0.43) OPRM1OPRK1OPRD1
SCHEMBL4813149 0.87 KMO (0.42) RORCOPRD1GRIN2B
SCHEMBL4751373 0.87 CYP2D6 (0.45) OPRK1CYP2D6RORC
SCHEMBL4024572 0.86 RORC (0.43) CYP2D6RORCGRIN2B
SCHEMBL4019710 0.86 RORC (0.43) CYP2D6RORCGRIN2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 — — WO disclosed