SCHEMBL4018493

SCHEMBL4018493

C[C@@H](NC(=O)C(N)Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.63
▸ OPRD1 P41143 10/20 0.60
▸ OPRM1 P35372 5/20 0.60
▸ OPRK1 P41145 1/20 0.60
▸ YARS1 P54577 2/20 0.59

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
SCHEMBL238987 1.00 SLC7A5 (0.63) SLC7A5OPRD1OPRM1OPRK1YARS1
SCHEMBL4018497 1.00 SLC7A5 (0.63) SLC7A5OPRD1OPRM1OPRK1YARS1
SCHEMBL238988 1.00 SLC7A5 (0.63) SLC7A5OPRD1OPRM1OPRK1YARS1
SCHEMBL10621141 0.97 OPRD1 (0.61) SLC7A5OPRD1OPRM1OPRK1YARS1
SCHEMBL10716722 0.97 OPRD1 (0.61) SLC7A5OPRD1OPRM1OPRK1YARS1
SCHEMBL10716732 0.97 OPRD1 (0.61) SLC7A5OPRD1OPRM1OPRK1YARS1
SCHEMBL29822851 0.93 OPRD1 (0.64) SLC7A5OPRD1OPRM1OPRK1YARS1
SCHEMBL22644029 0.92 OPRD1 (0.55) SLC7A5OPRD1OPRM1OPRK1YARS1
SCHEMBL30792491 0.91 OPRD1 (0.53) SLC7A5OPRD1OPRM1OPRK1YARS1
SCHEMBL29431826 0.91 OPRD1 (0.55) SLC7A5OPRD1OPRM1OPRK1YARS1

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-2009093918-A1 A METHOD OF PRODUCING AN N-BLOCKED BIPHALIN INTERMEDIATE INSTYTUT MEDYCYNY DOSWIADCZALNEJ I KLINICZNEJ IM. (PL) 2009-07-30 — — WO claimed
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