SCHEMBL4684430

SCHEMBL4684430

Cc1ccc(CC([NH])=O)cc1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PSMB8 P28062 2/20 0.43
PSMB5 P28074 2/20 0.43
ALDH1A1 P00352 3/20 0.42
RIOK2 Q9BVS4 1/20 0.42
POLB P06746 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
KDM4E B2RXH2 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL18461814 0.83 LMNA (0.47) LMNAMEN1KMT2AGAAL3MBTL1
SCHEMBL4685207 0.82 CA2 (0.44) LMNAMEN1KMT2AGAAALDH1A1
SCHEMBL12900623 0.81 LMNA (0.46) LMNAMEN1KMT2AGAAL3MBTL1
SCHEMBL1259978 0.81 LMNA (0.46) LMNAMEN1KMT2AGAAL3MBTL1
SCHEMBL969589 0.81 HPGD (0.55) LMNAMEN1KMT2AGAAL3MBTL1
SCHEMBL11210204 0.80 RXRA (0.48) LMNAMEN1KMT2AGAAALDH1A1
SCHEMBL11217379 0.80 KLKB1 (0.35) LMNAMEN1KMT2AGAAL3MBTL1
Hydrochloric Acid SCHEMBL2530255 0.79 HPGD (0.53) LMNAMEN1KMT2AGAAL3MBTL1
SCHEMBL2530254 0.79 ALDH1A1 (0.46) LMNAMEN1KMT2AGAAL3MBTL1
SCHEMBL2702346 0.79 CA2 (0.52) LMNAMEN1KMT2AGAAL3MBTL1

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