SCHEMBL7550440

SCHEMBL7550440

COC(=O)c1[nH]c2cc(Br)cc3c2c1C(CC(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1CCCC(=O)O)CC3

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
FPR3 P25089 1/20 0.31
FPR2 P25090 1/20 0.31
NAMPT P43490 1/20 0.30

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
SCHEMBL7548909 0.96 MTNR1A (0.32) MTNR1AMTNR1BFPR3FPR2
SCHEMBL7550864 0.95 MTNR1A (0.32) MTNR1AMTNR1BFPR3FPR2NAMPT
SCHEMBL7551122 0.92 MTNR1A (0.32) MTNR1AMTNR1BFPR3FPR2
SCHEMBL7554385 0.90 GLS (0.30) MTNR1AMTNR1B
SCHEMBL7547784 0.88 MTNR1A (0.34) MTNR1AMTNR1BFPR3FPR2NAMPT
SCHEMBL7554008 0.88 FPR3 (0.36) MTNR1AMTNR1BFPR3FPR2NAMPT
SCHEMBL7550462 0.84 MTNR1A (0.32) MTNR1AMTNR1BNAMPT
SCHEMBL7547267 0.82 MTNR1A (0.32) MTNR1AMTNR1BNAMPT
SCHEMBL7548639 0.80 MTNR1A (0.32) MTNR1AMTNR1BNAMPT
SCHEMBL7549043 0.80 MTNR1A (0.33) MTNR1AMTNR1BFPR3FPR2NAMPT

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-0657427-B1 Tricyclic indole-2-carboxylic acid derivatives being selective antagonists of the NMDA receptor SUMITOMO PHARMA (JP) 2002-06-19 EP disclosed
US-5496843-A Tricyclic indole-2-carboxylic acid derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-03-05 US disclosed
EP-0657427-A1 Tricyclic indole-2-carboxylic acid derivatives being selective antagonists of the NMDA receptor SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1995-06-14 EP disclosed