SCHEMBL2939627

SCHEMBL2939627

NC(=O)c1ccc(C(=O)N2CCCCc3ccccc32)cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 14/20 0.66
AVPR1A P37288 5/20 0.66
OXTR P30559 2/20 0.59
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58

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
SCHEMBL2937767 0.87 AVPR2 (0.64) AVPR2AVPR1AOXTR
SCHEMBL2939629 0.83 AVPR2 (0.65) AVPR2AVPR1AOXTRMEN1KMT2A
SCHEMBL3456180 0.83 MEN1 (0.72) AVPR2AVPR1AMEN1KMT2A
SCHEMBL5243307 0.82 AVPR2 (0.80) AVPR2AVPR1AOXTR
Hydrochloric Acid SCHEMBL5231674 0.82 AVPR2 (0.63) AVPR2AVPR1AOXTRMEN1KMT2A
SCHEMBL4895521 0.82 AVPR2 (0.70) AVPR2AVPR1AOXTRMEN1KMT2A
SCHEMBL7019375 0.81 AVPR2 (0.73) AVPR2AVPR1AOXTR
SCHEMBL5461713 0.80 MEN1 (0.68) AVPR2AVPR1AMEN1KMT2A
SCHEMBL5474789 0.79 AVPR2 (0.62) AVPR2AVPR1AMEN1KMT2A
SCHEMBL7350038 0.78 AVPR1A (0.66) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778677-B1 HETEROCYCLIC CONDENSED COMPOUNDS USEFUL AS ANTIDIURETIC AGENTS VANTIA LTD (GB) 2010-02-03 EP claimed