SCHEMBL5117110

SCHEMBL5117110

Cc1cc(C(=O)N2Cc3ccc(C(=O)O)n3Cc3ccccc32)ccc1C1=CCCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 14/20 0.47
AVPR1A P37288 10/20 0.42

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
SCHEMBL5111755 0.89 AVPR2 (0.51) AVPR2AVPR1A
SCHEMBL6210294 0.87 AVPR1A (0.41) AVPR2AVPR1A
SCHEMBL6475968 0.87 AVPR1A (0.40) AVPR2AVPR1A
SCHEMBL5105940 0.84 AVPR2 (0.47) AVPR2AVPR1A
SCHEMBL6628771 0.83 AVPR2 (0.58) AVPR2AVPR1A
SCHEMBL5118045 0.83 AVPR1A (0.62) AVPR2AVPR1A
SCHEMBL5110450 0.82 AVPR2 (0.42) AVPR2AVPR1A
SCHEMBL5782690 0.82 AVPR2 (0.50) AVPR2AVPR1A
SCHEMBL5785156 0.81 AVPR2 (0.47) AVPR2AVPR1A
SCHEMBL5835305 0.81 AVPR2 (0.51) AVPR2AVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7326700-B2 Cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists WYETH (US) 2008-02-05 US claimed
US-6977254-B2 Hydroxy cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists WYETH (US) 2005-12-20 US claimed
US-7326700-B2 Cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists WYETH (US) 2008-02-05 US disclosed
US-6977254-B2 Hydroxy cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists WYETH (US) 2005-12-20 US disclosed
EP-1377585-B1 NOVEL 10-CYCLOHEXENYL-PHENYL PYRROLOBENZODIAZEPINE-3-CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH CORP (US) 2005-11-09 EP disclosed
EP-1377585-A1 NOVEL 10-CYCLOHEXENYL-PHENYL PYRROLOBENZODIAZEPINE-3-CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-07 EP disclosed
WO-2002083682-A1 NOVEL 10-CYCLOHEXENYL-PHENYL PYRROLOBENZODIAZEPINE-3-CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 WO disclosed