SCHEMBL6181504

SCHEMBL6181504

CN(C(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.53
TACR1 P25103 11/20 0.51
NMBR P28336 4/20 0.47
GRPR P30550 4/20 0.47

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
SCHEMBL6181506 0.85 CCKBR (0.59) CCKBRTACR1NMBRGRPR
SCHEMBL8893636 0.84 TACR1 (0.61) CCKBRTACR1
SCHEMBL8893642 0.84 TACR1 (0.61) CCKBRTACR1
SCHEMBL8893860 0.84 TACR1 (0.58) CCKBRTACR1
SCHEMBL8893856 0.84 TACR1 (0.58) CCKBRTACR1
SCHEMBL6250373 0.80 TACR1 (0.53) CCKBRTACR1NMBRGRPR
SCHEMBL6250369 0.76 NMBR (0.77) NMBRGRPR
SCHEMBL9016095 0.74 TACR1 (0.74) TACR1
SCHEMBL7433288 0.74 TACR1 (0.74) TACR1
SCHEMBL14627507 0.74 TACR1 (0.74) 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 4 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 disclosed
US-6194437-B1 ANTIDEPRESSANTS; ANTICANCER AGENTS; GASTROINTESTINAL DISORDERS; COGNITION ACTIVATORS WARNER-LAMBERT COMPANY 2001-02-27 US disclosed
EP-0920424-A1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-06-09 EP disclosed
WO-1998007718-A1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-02-26 WO disclosed