SCHEMBL6192005

SCHEMBL6192005

Cc1cc(C(=O)N2Cc3ccc(OC(=O)O)n3Cc3ccccc32)ccc1C1=CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 8/20 0.43
AVPR2 P30518 14/20 0.39
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL5105940 0.87 AVPR2 (0.47) AVPR1AAVPR2
SCHEMBL6210294 0.85 AVPR1A (0.41) AVPR1AAVPR2
SCHEMBL5108897 0.83 AVPR1A (0.41) AVPR1AAVPR2
SCHEMBL5106699 0.82 AVPR2 (0.49) AVPR1AAVPR2
SCHEMBL5117312 0.81 AVPR1A (0.60) AVPR1AAVPR2
SCHEMBL6190961 0.80 AVPR2 (0.40) AVPR1AAVPR2
SCHEMBL6475869 0.79 AVPR1A (0.41) AVPR1AAVPR2
SCHEMBL6476096 0.79 AVPR1A (0.41) AVPR1AAVPR2
SCHEMBL6476800 0.78 AVPR2 (0.44) AVPR1AAVPR2
SCHEMBL6190069 0.78 AVPR1A (0.49) 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 claimed