SCHEMBL8961662

SCHEMBL8961662

Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(C(=O)N2CCCN(Cc3cccnc3)c3ccccc32)cc1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 16/20 0.66
AVPR1A P37288 6/20 0.66
AVPR1B P47901 3/20 0.66
OXTR P30559 1/20 0.50

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
SCHEMBL9230857 0.93 AVPR1A (0.63) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6960033 0.86 AVPR2 (0.53) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL8961802 0.83 AVPR2 (0.62) AVPR2AVPR1AOXTR
SCHEMBL6967016 0.76 AVPR1A (0.64) AVPR2AVPR1AOXTR
SCHEMBL6971391 0.76 AVPR2 (0.79) AVPR2AVPR1AOXTR
SCHEMBL5235552 0.75 AVPR2 (0.44) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL5229164 0.75 AVPR2 (0.43) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6964282 0.73 AVPR2 (0.85) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL8961694 0.73 AVPR2 (0.72) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL7087152 0.73 AVPR2 (0.71) AVPR2AVPR1AAVPR1BOXTR

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
US-5521170-A VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed