SCHEMBL6180805

SCHEMBL6180805

CCOC(=O)c1ccc(NC(=O)NC(C)(Cc2c[nH]c3ccccc23)C(=O)NC(c2ccccn2)C2CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NMBR P28336 17/20 0.51
GRPR P30550 13/20 0.51
FPR1 P21462 2/20 0.48
AGTR1 P30556 1/20 0.48
GPR65 Q8IYL9 1/20 0.48
TACR1 P25103 1/20 0.43

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
SCHEMBL6184335 0.88 NMBR (0.64) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6181252 0.87 NMBR (0.64) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6179976 0.86 NMBR (0.65) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6250091 0.84 NMBR (0.47) NMBRGRPRTACR1
SCHEMBL6252799 0.83 NMBR (0.49) NMBRGRPRTACR1
SCHEMBL6185509 0.83 NMBR (0.72) NMBRGRPR
SCHEMBL6251392 0.82 TACR1 (0.48) NMBRGRPRTACR1
SCHEMBL6250533 0.82 NMBR (0.50) NMBRGRPRTACR1
SCHEMBL6252282 0.82 NMBR (0.48) NMBRGRPRTACR1
SCHEMBL6251949 0.81 TACR1 (0.52) TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920424-B1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-11-30 EP claimed
US-6194437-B1 ANTIDEPRESSANTS; ANTICANCER AGENTS; GASTROINTESTINAL DISORDERS; COGNITION ACTIVATORS WARNER-LAMBERT COMPANY 2001-02-27 US claimed