SCHEMBL2939629

SCHEMBL2939629

NCc1ccc(C(=O)N2CCCCc3ccccc32)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 13/20 0.65
AVPR1A P37288 8/20 0.65
OXTR P30559 4/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
USP2 O75604 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
TSHR P16473 1/20 0.57

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
Hydrochloric Acid SCHEMBL5231674 0.99 AVPR2 (0.63) AVPR2AVPR1AOXTRMEN1KMT2A
SCHEMBL1346004 0.86 AVPR2 (0.69) AVPR2AVPR1AOXTR
Hydrochloric Acid SCHEMBL5236491 0.86 AVPR2 (0.65) AVPR2AVPR1AOXTRMEN1KMT2A
Hydrochloric Acid SCHEMBL4195564 0.85 AVPR2 (0.68) AVPR2AVPR1AOXTR
SCHEMBL5233665 0.84 AVPR2 (0.64) AVPR2AVPR1AOXTRUSP2ALDH1A1
SCHEMBL2939627 0.83 AVPR2 (0.66) AVPR2AVPR1AOXTRMEN1KMT2A
Hydrochloric Acid SCHEMBL5234540 0.82 MEN1 (0.66) AVPR2AVPR1AOXTRMEN1KMT2A
SCHEMBL5230483 0.82 PDCD1 (0.44) AVPR2AVPR1AMEN1KMT2AUSP2
SCHEMBL3456180 0.82 MEN1 (0.72) AVPR2AVPR1AMEN1KMT2AUSP2
SCHEMBL5237261 0.82 AVPR2 (0.76) AVPR2AVPR1AOXTRALDH1A1LMNA

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 3 patents. 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
EP-1294698-A1 FUSED AZEPINE DERIVATIVES AND THEIR USE AS ANTIDIURETIC AGENTS FERRING B.V. (NL) 2003-03-26 EP disclosed
WO-2002000626-A1 FUSED AZEPINE DERIVATIVES AND THEIR USE AS ANTIDIURETIC AGENTS FERRING B.V. (NL) 2002-01-03 WO disclosed