SCHEMBL21508992

SCHEMBL21508992

O=C(O)N[C@H](C(=O)O)C1Cc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 2/20 0.41
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
PYGL P06737 8/20 0.38
CYP2C9 P11712 4/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
EPHX2 P34913 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 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
SCHEMBL14979998 0.84 GRM7 (0.41) GRM7MTNR1AMTNR1BMAPTGAA
SCHEMBL239019 0.83 GRM7 (0.40) GRM7OPRM1OPRD1OPRK1PYGL
SCHEMBL27923521 0.83 GRM7 (0.40) GRM7OPRM1OPRD1OPRK1PYGL
SCHEMBL14025206 0.82 GRM7 (0.41) GRM7MTNR1AMTNR1BMAPTGAA
SCHEMBL805196 0.82 GRM7 (0.44) GRM7OPRM1OPRD1OPRK1MTNR1A
SCHEMBL12966499 0.82 GRM7 (0.44) GRM7OPRM1OPRD1OPRK1MTNR1A
SCHEMBL29911641 0.80 EPHX2 (0.44) EPHX2
SCHEMBL5389519 0.80 EPHX2 (0.44) EPHX2
SCHEMBL1598690 0.80 EPHX2 (0.44) EPHX2
SCHEMBL4816579 0.80 EPHX2 (0.44) EPHX2

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
EP-2780026-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2019-10-23 EP disclosed