SCHEMBL8780446

SCHEMBL8780446

CCCCC(=O)C(Cc1ccc(C#N)cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UBE2N P61088 1/20 0.50
LTB4R2 Q9NPC1 1/20 0.43
CHRM1 P11229 6/20 0.42
EPHX1 P07099 1/20 0.42
TSHR P16473 2/20 0.40
HSD17B10 Q99714 1/20 0.40
CTSG P08311 3/20 0.39
RORC P51449 1/20 0.39
CMA1 P23946 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP2A6 P11509 1/20 0.38

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
SCHEMBL8780442 0.83 UBE2N (0.53) UBE2NLTB4R2CHRM1EPHX1HSD17B10
SCHEMBL3368827 0.81 ESR1 (0.55) UBE2NCHRM1EPHX1CTSGCMA1
SCHEMBL4801536 0.79 UBE2N (0.56) UBE2NCHRM1EPHX1
SCHEMBL9119849 0.79 UBE2N (0.49) UBE2NEPHX1TSHR
SCHEMBL4804049 0.77 UBE2N (0.53) UBE2NCHRM1EPHX1
SCHEMBL4805977 0.77 UBE2N (0.53) UBE2NCHRM1EPHX1
SCHEMBL4799006 0.77 UBE2N (0.59) UBE2NCHRM1EPHX1
SCHEMBL3632556 0.76 LMNA (0.50) UBE2NHSD17B10NPSR1
SCHEMBL4800161 0.75 UBE2N (0.57) UBE2NCHRM1EPHX1
SCHEMBL29319430 0.74 MMP12 (0.48) CTSGCMA1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0498722-B1 Bicyclic nitrogen compounds, their preparation, intermediates obtained, their use as pharmaceuticals and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1997-07-30 EP disclosed
US-5478938-A Antagonists for angiotensin II receptors; hypotensive, cardiotonic agents; cognitive activators ROUSSEL UCLAF (FR) 1995-12-26 US disclosed
US-5324839-A Hypotensive agents, gastrointestinal and urogenital disorders ROUSSEL-UCLAF (FR) 1994-06-28 US disclosed
EP-0498722-A1 Bicyclic nitrogen compounds, their preparation, intermediates obtained, their use as pharmaceuticals and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1992-08-12 EP disclosed