SCHEMBL6190069

SCHEMBL6190069

Cc1cc(C(=O)N2Cc3ccc(C(=O)C(Cl)(Cl)Cl)n3Cc3ccccc32)ccc1C1=CCCCC1.Cc1cc(C(=O)N2Cc3cccn3Cc3ccccc32)ccc1C1=CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 12/20 0.49
AVPR2 P30518 12/20 0.49

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
SCHEMBL5108897 0.94 AVPR1A (0.41) AVPR1AAVPR2
SCHEMBL5117312 0.89 AVPR1A (0.60) AVPR1AAVPR2
SCHEMBL5105940 0.85 AVPR2 (0.47) AVPR1AAVPR2
SCHEMBL5106699 0.82 AVPR2 (0.49) AVPR1AAVPR2
SCHEMBL3535323 0.81 AVPR2 (0.49) AVPR1AAVPR2
SCHEMBL6625101 0.80 AVPR1A (0.58) AVPR1AAVPR2
SCHEMBL3551977 0.79 AVPR2 (0.43) AVPR1AAVPR2
SCHEMBL6192005 0.78 AVPR1A (0.43) AVPR1AAVPR2
SCHEMBL6476800 0.78 AVPR2 (0.44) AVPR1AAVPR2
SCHEMBL6475869 0.77 AVPR1A (0.41) AVPR1AAVPR2

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-1377585-B1 NOVEL 10-CYCLOHEXENYL-PHENYL PYRROLOBENZODIAZEPINE-3-CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH CORP (US) 2005-11-09 EP disclosed