SCHEMBL6217586

SCHEMBL6217586

CC(=O)NCCc1csc2ccc(OCCCCOc3ccc(-c4ccc(C(=O)O)cc4)cc3)cc12

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 19/20 0.71
MTNR1B P49286 17/20 0.68
USP2 O75604 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL6216466 0.97 MTNR1A (0.72) MTNR1AMTNR1BUSP2ALOX15TSHR
SCHEMBL5355604 0.91 MTNR1A (0.70) MTNR1AMTNR1B
SCHEMBL7015784 0.90 MTNR1A (0.87) MTNR1AMTNR1B
SCHEMBL5349367 0.88 MTNR1A (0.71) MTNR1AMTNR1B
SCHEMBL5344020 0.81 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL7019293 0.81 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL7020835 0.80 MTNR1A (0.71) MTNR1AMTNR1BHSD17B10
SCHEMBL5346051 0.80 MTNR1A (0.74) MTNR1AMTNR1BUSP2ALOX15TSHR
SCHEMBL6216634 0.79 MTNR1A (0.96) MTNR1AMTNR1B
SCHEMBL7016626 0.79 MTNR1A (0.96) MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317413-B1 SUBSTITUTED BIPHENYL DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2005-08-24 EP disclosed
EP-1317413-A1 SUBSTITUTED BIPHENYL DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2003-06-11 EP disclosed
WO-2002022555-A1 SUBSTITUTED BIPHENYL DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2002-03-21 WO disclosed