SCHEMBL7348443

SCHEMBL7348443

CCN1CCN(C(=O)c2ccc(N)cc2)c2ccccc2C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 6/20 0.60
AVPR1A P37288 6/20 0.60
RAB9A P51151 3/20 0.50
HPGD P15428 3/20 0.50
NPC1 O15118 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 4/20 0.49
OXTR P30559 3/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 2/20 0.46
TSHR P16473 2/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44

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
SCHEMBL7350202 0.83 KMT2A (0.51) AVPR2AVPR1ARAB9AHPGDNPC1
SCHEMBL7350319 0.83 AVPR2 (0.64) AVPR2AVPR1ARAB9AHPGDNPC1
SCHEMBL7351785 0.80 AVPR2 (0.60) AVPR2AVPR1ARAB9AHPGDNPC1
SCHEMBL7352814 0.79 AVPR2 (0.68) AVPR2AVPR1ARAB9AHPGDNPC1
SCHEMBL7351922 0.76 AVPR1A (0.60) AVPR2AVPR1AOXTR
SCHEMBL6965406 0.76 AVPR2 (0.92) AVPR2AVPR1AHPGDKMT2AALDH1A1
SCHEMBL7347092 0.75 AVPR2 (1.00) AVPR2AVPR1AALDH1A1OXTRTSHR
SCHEMBL7349550 0.75 AVPR2 (0.59) AVPR2AVPR1ARAB9AHPGDNPC1
SCHEMBL7346571 0.75 KMT2A (0.49) AVPR2AVPR1ARAB9AHPGDNPC1
SCHEMBL7350669 0.74 AVPR2 (0.58) AVPR2AVPR1ARAB9AHPGDNPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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