SCHEMBL7864097

SCHEMBL7864097

CC1(c2cccc(C#N)c2)CCCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
NSD2 O96028 1/20 0.42
PGR P06401 4/20 0.40
HSD11B1 P28845 1/20 0.40
OPRD1 P41143 1/20 0.39
BACE1 P56817 2/20 0.39
TRPA1 O75762 1/20 0.39
ICMT O60725 1/20 0.38
ENPP2 Q13822 1/20 0.38
CNR2 P34972 1/20 0.38
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
GSK3A P49840 2/20 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
SCHEMBL7864096 0.79 SLC6A2 (0.44) SLC6A2SLC6A4NSD2PGRHSD11B1
SCHEMBL26395098 0.77 SLC6A2 (0.41) SLC6A2SLC6A4NSD2PGRHSD11B1
SCHEMBL4701589 0.76 ICMT (0.42) SLC6A2SLC6A4NSD2PGRHSD11B1
SCHEMBL6600993 0.76 OPRM1 (0.56) DRD2DRD3
SCHEMBL23341010 0.76 SLC6A3 (0.54) SLC6A2SLC6A4HSD11B1OPRD1
SCHEMBL3028641 0.75 SLC6A2 (0.41) SLC6A2SLC6A4NSD2PGRHSD11B1
SCHEMBL29793643 0.75 ICMT (0.41) SLC6A2SLC6A4NSD2PGRHSD11B1
SCHEMBL26395020 0.74 SLC6A2 (0.39) SLC6A2SLC6A4NSD2PGRHSD11B1
SCHEMBL23231697 0.74 HSD11B1 (0.41) SLC6A2SLC6A4HSD11B1BACE1ENPP2
SCHEMBL6448660 0.74 SLC6A4 (0.57) SLC6A2SLC6A4HSD11B1OPRD1

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-0623608-B1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LTD (JP) 2001-05-30 EP disclosed
EP-0546177-B1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LTD (JP) 1998-01-07 EP disclosed
US-5574061-A ANTILIPEMIC AGENT, ANTIATHEROSCLEROSIS, ACAT INHIBITOR TEIJIN LIMITED (JP) 1996-11-12 US disclosed
EP-0623608-A1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1994-11-09 EP disclosed
EP-0546177-A1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 1993-06-16 EP disclosed