SCHEMBL4688331

SCHEMBL4688331

COc1cc(C(=O)N2CCCCc3cc(Cl)ccc32)ccc1NC(=O)c1ccccc1OCCCn1cncn1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
AVPR2 P30518 11/20 0.46
AVPR1A P37288 10/20 0.46
AVPR1B P47901 7/20 0.46
MEN1 O00255 2/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TP53 P04637 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
SCHEMBL7359772 0.85 AVPR2 (0.56) KMT2AAVPR2AVPR1AAVPR1BMEN1
SCHEMBL7354914 0.85 AVPR2 (0.53) KMT2AAVPR2AVPR1AAVPR1BMEN1
SCHEMBL4685480 0.84 AVPR2 (0.48) KMT2AAVPR2AVPR1AAVPR1BMEN1
SCHEMBL7383926 0.84 AVPR1A (0.49) KMT2AAVPR2AVPR1AAVPR1BMEN1
SCHEMBL7357285 0.84 AVPR1A (0.50) KMT2AAVPR2AVPR1AAVPR1BMEN1
SCHEMBL4687283 0.84 AVPR2 (0.51) KMT2AAVPR2AVPR1AAVPR1BMEN1
SCHEMBL4687327 0.83 AVPR2 (0.55) KMT2AAVPR2AVPR1AAVPR1BMEN1
SCHEMBL4685018 0.83 AVPR1A (0.48) AVPR2AVPR1AAVPR1BTP53
SCHEMBL8627388 0.80 AVPR2 (0.45) KMT2AAVPR2AVPR1AMEN1USP2
SCHEMBL8827696 0.74 AVPR2 (0.49) AVPR2AVPR1AAVPR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902717-A2 Vasopressin antagonist and oxytocin antagonist Otsuka Pharmaceutical Company, Limited (JP) 2008-03-26 EP disclosed
EP-0620003-B1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMA CO LTD (JP) 2008-01-16 EP disclosed
US-5753644-A Vasopressin antagonist and oxytocin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5622947-A VASODILATORS, HYPOTENSIVE AGENTS, DIURETICS, PLATELET AGGLUTINATION INHIBITORS; ALSO USED TO PREVENT PREMATURE BIRTH, TREAT DYSMENORRHEA OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-22 US disclosed
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed