SCHEMBL7339651

SCHEMBL7339651

Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Oc3ccccc32)cn1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.51
AVPR1A P37288 5/20 0.51
OXTR P30559 1/20 0.43

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
SCHEMBL7335243 0.91 AVPR2 (0.48) AVPR2AVPR1A
SCHEMBL7397457 0.91 LMNA (0.49) AVPR2AVPR1A
SCHEMBL7368892 0.87 AVPR2 (0.56) AVPR2AVPR1A
SCHEMBL5739209 0.83 AVPR2 (0.59) AVPR2AVPR1AOXTR
SCHEMBL7333346 0.83 LMNA (0.44)
SCHEMBL7344491 0.83 TP53 (0.40)
SCHEMBL7334645 0.82 AVPR2 (0.49) AVPR2AVPR1A
SCHEMBL29385181 0.82 AVPR2 (0.77) AVPR2AVPR1AOXTR
SCHEMBL7367681 0.82 AVPR2 (0.66) AVPR2AVPR1A
SCHEMBL5738957 0.82 AVPR2 (0.77) AVPR2AVPR1AOXTR

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
WO-1996022282-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO claimed
WO-1996022282-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO disclosed