SCHEMBL7339550

SCHEMBL7339550

O=C(Nc1ccc(C(=O)N2CCc3ccsc3-c3ccccc32)cn1)c1ccccc1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 12/20 0.51
AVPR2 P30518 11/20 0.51
AVPR1B P47901 8/20 0.51
OXTR P30559 1/20 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
SCHEMBL7369779 0.84 AVPR2 (0.57) AVPR1AAVPR2
SCHEMBL7335693 0.83 AVPR2 (0.53) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL6986830 0.82 AVPR1A (0.75) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL7335534 0.82 AVPR2 (0.57) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL7335695 0.81 AVPR2 (0.58) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL7371679 0.79 AVPR1A (0.53) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL9059603 0.78 AVPR2 (0.51) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL7337847 0.77 AVPR2 (0.52) AVPR1AAVPR2OXTR
SCHEMBL7342015 0.75 AVPR2 (0.57) AVPR1AAVPR2OXTR
SCHEMBL6964426 0.75 AVPR2 (0.47) AVPR1AAVPR2AVPR1BOXTR

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