SCHEMBL5243307

SCHEMBL5243307

NC(=O)c1ccc(C(=O)N2CCCCc3ccccc32)cc1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 12/20 0.80
AVPR1A P37288 11/20 0.80
OXTR P30559 6/20 0.75
CA1 P00915 1/20 0.66
CA2 P00918 1/20 0.66
CA7 P43166 1/20 0.66
CA9 Q16790 1/20 0.66
CA14 Q9ULX7 1/20 0.66
ALDH1A1 P00352 2/20 0.64
TSHR P16473 1/20 0.64
LMNA P02545 1/20 0.63
MAPK1 P28482 1/20 0.63

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
SCHEMBL28801336 0.90 HPGD (0.77) AVPR2AVPR1AOXTRCA1CA2
SCHEMBL7347092 0.89 AVPR2 (1.00) AVPR2AVPR1AOXTRCA1CA2
SCHEMBL7357300 0.87 AVPR2 (0.97) AVPR2AVPR1AOXTRCA1CA2
SCHEMBL5237261 0.86 AVPR2 (0.76) AVPR2AVPR1AOXTRCA1CA2
SCHEMBL9389632 0.86 AVPR2 (1.00) AVPR2AVPR1AOXTRALDH1A1
SCHEMBL6965406 0.84 AVPR2 (0.92) AVPR2AVPR1AOXTRCA1CA2
SCHEMBL7348349 0.84 AVPR2 (0.76) AVPR2AVPR1AOXTRCA1CA2
SCHEMBL2937767 0.83 AVPR2 (0.64) AVPR2AVPR1AOXTR
SCHEMBL29463754 0.83 ALDH1A1 (0.81) AVPR2AVPR1AOXTRCA1CA2
SCHEMBL6198498 0.83 ALDH1A1 (0.81) AVPR2AVPR1AOXTRCA1CA2

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
EP-1778677-A1 HETEROCYCLIC CONDENSED COMPOUNDS USEFUL AS ANTIDIURETIC AGENTS Ferring B.V. (NL) 2007-05-02 EP claimed
WO-2006018443-A1 HETEROCYCLIC CONDENSED COMPOUNDS USEFUL AS ANTIDIURETIC AGENTS FERRING B.V. (NL) 2006-02-23 WO claimed