SCHEMBL7313684

SCHEMBL7313684

O=C(Nc1ccc(C(=O)N2CCc3cn[nH]c3-c3sccc32)cc1)c1ccccc1-c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 15/20 0.79
AVPR1A P37288 14/20 0.79
AVPR1B P47901 8/20 0.62
OXTR P30559 1/20 0.56

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
SCHEMBL7333632 0.88 AVPR2 (0.64) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL5231412 0.83 AVPR2 (0.75) AVPR2AVPR1AAVPR1B
SCHEMBL5237135 0.82 AVPR2 (0.54) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL5235980 0.81 AVPR2 (1.00) AVPR2AVPR1AAVPR1B
SCHEMBL5235169 0.81 AVPR2 (1.00) AVPR2AVPR1AAVPR1B
SCHEMBL5233013 0.77 AVPR2 (0.64) AVPR2AVPR1A
SCHEMBL7335693 0.77 AVPR2 (0.53) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL8742945 0.77 AVPR1A (1.00) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL5231085 0.76 AVPR2 (0.63) AVPR2AVPR1AAVPR1B
SCHEMBL7342518 0.76 AVPR2 (0.80) AVPR2AVPR1A

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-5532235-A TO TREAT EXCESS RENAL REABSORPTION AMERICAN CYANAMID COMPANY (US) 1996-07-02 US disclosed