SCHEMBL3377284

SCHEMBL3377284

CCCCCNC1(C(N)=O)CCCC1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 8/20 0.43
OPRL1 P41146 4/20 0.39
EPHX1 P07099 7/20 0.38
NAAA Q02083 1/20 0.37

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
SCHEMBL23974192 0.87 OPRL1 (0.42) SPHK1OPRL1
SCHEMBL6179296 0.84 EPHX1 (0.39) SPHK1EPHX1NAAA
SCHEMBL7718359 0.82 NAAA (0.40) SPHK1EPHX1NAAA
SCHEMBL7713427 0.81 NAAA (0.42) SPHK1EPHX1NAAA
SCHEMBL352809 0.79 OPRL1 (0.38) OPRL1
SCHEMBL354598 0.78 OPRL1 (0.37) OPRL1
SCHEMBL354907 0.78 OPRL1 (0.37) OPRL1
SCHEMBL24946123 0.77 KDM4E (0.38) OPRL1
SCHEMBL28524188 0.76 CNR2 (0.39) EPHX1NAAA
SCHEMBL6680069 0.76 EPHX1 (0.42) SPHK1EPHX1

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-2194050-A1 A new process for the preparation of irbesartan KRKA, tovarna zdravil, d.d., Novo mesto (SI) 2010-06-09 EP disclosed
US-5559233-A 3-/P-PHENYLBENZYL/IMIDAZOLONES AND PYRIMIDONES SANOFI (FR) 1996-09-24 US disclosed
US-5541209-A Use of irbesartan or salts thereof BRISTOL-MYERS SQUIBB COMPANY (US) 1996-07-30 US disclosed
US-5352788-A Angiotensin antagonist ELF SANOFI (FR) 1994-10-04 US disclosed
US-5270317-A N-substituted heterocyclic derivatives, their preparation and the pharmaceutical compositions in which they are present ELF SANOFI (FR) 1993-12-14 US disclosed