SCHEMBL7183917

SCHEMBL7183917

COCC(NC(=O)[C@](C)(Cc1c[nH]c2ccccc12)Nc1nc(-c2ccc([N+](=O)[O-])cc2)co1)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NMBR P28336 14/20 0.42
▸ GRPR P30550 12/20 0.42
▸ FPR1 P21462 2/20 0.41
▸ CCKBR P32239 1/20 0.41
▸ AGTR1 P30556 1/20 0.41
▸ GPR65 Q8IYL9 1/20 0.41

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
SCHEMBL6255139 1.00 NMBR (0.42) NMBRGRPRFPR1CCKBRAGTR1
SCHEMBL6252251 0.85 NMBR (0.48) NMBRGRPRFPR1CCKBRAGTR1
SCHEMBL6254308 0.83 PGR (0.38) —
SCHEMBL6254175 0.81 NMBR (0.53) NMBRGRPRFPR1CCKBRAGTR1
SCHEMBL6252522 0.78 NMBR (0.47) NMBRGRPRFPR1CCKBRAGTR1
SCHEMBL6252529 0.78 NMBR (0.47) NMBRGRPRFPR1CCKBRAGTR1
SCHEMBL6253307 0.77 TACR1 (0.41) NMBRGRPRFPR1
SCHEMBL6810082 0.76 NMBR (0.72) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6252249 0.76 NMBR (0.72) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6253540 0.75 NMBR (0.38) NMBRGRPRFPR1CCKBR

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-1333824-A2 TREATMENT OF SEXUAL DYSFUNCTION Warner-Lambert Company LLC (US) 2003-08-13 — — EP claimed
WO-2002040008-A2 TREATMENT OF SEXUAL DYSFUNCTION WITH NON PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2002-05-23 — — WO claimed
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