SCHEMBL4685773

SCHEMBL4685773

CCCCCOc1ccc(CCCCC([NH])=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
MEN1 O00255 1/20 0.56
USP2 O75604 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAPK1 P28482 1/20 0.56
CASP1 P29466 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
SLCO1B3 Q9NPD5 1/20 0.56
SLCO1B1 Q9Y6L6 1/20 0.56
FFAR1 O14842 1/20 0.55
PLA2G4A P47712 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
S1PR4 O95977 2/20 0.53
S1PR1 P21453 2/20 0.53
S1PR3 Q99500 2/20 0.53
THRB P10828 2/20 0.52
THRA P10827 1/20 0.52
TP53 P04637 1/20 0.51

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
SCHEMBL11837530 0.99 LMNA (0.58) LMNAMEN1USP2ALDH1A1CYP3A4
SCHEMBL4685776 0.87 S1PR4 (0.57) LMNAMEN1USP2ALDH1A1CYP3A4
SCHEMBL8080040 0.87 FFAR1 (0.68) LMNAMEN1USP2ALDH1A1CYP3A4
SCHEMBL2185272 0.85 S1PR1 (0.67) LMNAMEN1USP2ALDH1A1CYP3A4
SCHEMBL11845832 0.85 S1PR1 (0.67) LMNAMEN1USP2ALDH1A1CYP3A4
SCHEMBL2185966 0.85 S1PR1 (0.67) LMNAMEN1USP2ALDH1A1CYP3A4
SCHEMBL9663932 0.85 S1PR1 (0.67) LMNAMEN1USP2ALDH1A1CYP3A4
SCHEMBL11837534 0.85 S1PR4 (0.60) LMNAMEN1USP2ALDH1A1CYP3A4
SCHEMBL9663973 0.84 MEN1 (0.58) LMNAMEN1USP2ALDH1A1CYP3A4
SCHEMBL7995811 0.83 LMNA (0.71) LMNAMEN1USP2ALDH1A1CYP3A4

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
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
US-5244898-A Vasopressin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
EP-0514667-A1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-25 EP disclosed