SCHEMBL4683205

SCHEMBL4683205

COc1cc(NC(=O)c2ccccc2OCCCCN2CCN(C(C)=O)CC2)ccc1C(=O)N1CCCCc2cc(Cl)ccc21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 9/20 0.52
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
AVPR1A P37288 2/20 0.46
AVPR1B P47901 2/20 0.46
MAPT P10636 4/20 0.45
TP53 P04637 2/20 0.45
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
LMNA P02545 1/20 0.41
MET P08581 1/20 0.41

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
SCHEMBL7348955 0.94 AVPR2 (0.55) AVPR2MEN1KMT2AAVPR1AAVPR1B
SCHEMBL7364823 0.89 AVPR2 (0.48) AVPR2TP53
SCHEMBL4687327 0.87 AVPR2 (0.55) AVPR2MEN1KMT2AAVPR1AAVPR1B
SCHEMBL8632240 0.80 AVPR2 (0.44) AVPR2AVPR1AMAPTLMNA
SCHEMBL8630825 0.80 AVPR2 (0.40) AVPR2MAPTUSP2ALDH1A1HSD17B10
SCHEMBL7354543 0.79 AVPR2 (0.57) AVPR2MEN1KMT2AAVPR1ATP53
SCHEMBL7352446 0.78 AVPR2 (0.59) AVPR2MEN1KMT2AAVPR1ATP53
Hydrochloric Acid SCHEMBL8628767 0.78 AVPR2 (0.47) AVPR2MEN1KMT2AAVPR1AMAPT
SCHEMBL4687283 0.76 AVPR2 (0.51) AVPR2MEN1KMT2AAVPR1AAVPR1B
Hydrochloric Acid SCHEMBL7338452 0.76 AVPR2 (0.57) AVPR2AVPR1AAVPR1BCHRM1

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
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-0514667-B1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMA CO LTD (JP) 1995-08-09 EP disclosed
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed