SCHEMBL16457333

SCHEMBL16457333

Cn1c2c(c3cc(C(C)(C)C)c(Br)nc31)CCN(C(=O)O)CC2

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.35
MCHR1 Q99705 4/20 0.33
BAZ2B Q9UIF8 2/20 0.32

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
SCHEMBL1006858 0.77 MCHR1 (0.38) GRM5MCHR1BAZ2B
SCHEMBL1004240 0.69 GRM5 (0.46) GRM5MCHR1BAZ2B
SCHEMBL9931576 0.68 MCHR1 (0.43) MCHR1BAZ2B
SCHEMBL1004761 0.67 DDB1 (0.40) GRM5
SCHEMBL30339918 0.67 DDB1 (0.40) GRM5
SCHEMBL24102117 0.63 NR3C1 (0.40) BAZ2B
SCHEMBL30340260 0.63 NR3C1 (0.40) BAZ2B
SCHEMBL989561 0.62 MCHR1 (0.38) MCHR1BAZ2B
SCHEMBL9930853 0.61 DDB1 (0.47) MCHR1BAZ2B
SCHEMBL3476808 0.61 BAZ2B (0.53) GRM5BAZ2B

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-2448585-B1 AZINONE-SUBSTITUTED AZEPINO[B]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RES INC (US) 2014-01-01 EP disclosed