SCHEMBL7353185

SCHEMBL7353185

Nc1ccc(C(=O)N2CC(N3CCCC3)Cc3ccccc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 10/20 0.62
AVPR1A P37288 9/20 0.62
OXTR P30559 4/20 0.46
HSD11B1 P28845 1/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CTSD P07339 1/20 0.42

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
SCHEMBL7353247 0.91 AVPR2 (0.53) AVPR2AVPR1AHSD11B1HPGDALDH1A1
SCHEMBL27318182 0.86 AVPR2 (0.53) AVPR2AVPR1AOXTRHSD11B1HPGD
SCHEMBL13980487 0.85 AVPR2 (0.58) AVPR2AVPR1AOXTRHSD11B1
SCHEMBL7346654 0.84 MAPT (0.47) HPGDALDH1A1NPC1KMT2ASMN1; SMN2
SCHEMBL7352202 0.80 AVPR2 (0.56) AVPR2AVPR1AOXTRHSD11B1HPGD
SCHEMBL27325426 0.78 AVPR2 (0.54) AVPR2AVPR1AOXTRHSD11B1HPGD
SCHEMBL7357354 0.78 AVPR2 (0.54) AVPR2AVPR1AOXTRHSD11B1HPGD
SCHEMBL7347092 0.77 AVPR2 (1.00) AVPR2AVPR1AOXTRALDH1A1CA1
SCHEMBL26938797 0.76 MAPT (0.46) ALDH1A1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL7355733 0.76 AVPR1A (0.60) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1048484-C A process for preparing a composition containing benzoheterocycles OTSUKA PHARMA CO LTD (JP) 2000-01-19 CN disclosed
US-5985869-A USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-11-16 US disclosed
US-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5559230-A VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
CN-1027505-C Process for preparing benzoheterocyclic compounds OTSUKA PHARMA CO LTD (JP) 1995-01-25 CN disclosed
EP-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed