SCHEMBL7864096

SCHEMBL7864096

[CH2]C1(c2cccc(C#N)c2)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
PGR P06401 4/20 0.40
HSD11B1 P28845 1/20 0.40
ENPP2 Q13822 1/20 0.38
CNR2 P34972 1/20 0.38
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
VNN1 O95497 2/20 0.36
BACE1 P56817 2/20 0.36
CLK4 Q9HAZ1 1/20 0.36
NSD2 O96028 1/20 0.36
TSHR P16473 1/20 0.35
MAOB P27338 1/20 0.35
KDM1A O60341 1/20 0.35
ABCC9 O60706 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
KCNJ8 Q15842 1/20 0.35

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
SCHEMBL7864097 0.79 SLC6A2 (0.47) SLC6A2SLC6A4PGRHSD11B1ENPP2
SCHEMBL3028641 0.75 SLC6A2 (0.41) SLC6A2SLC6A4PGRHSD11B1ENPP2
SCHEMBL23231697 0.74 HSD11B1 (0.41) SLC6A2SLC6A4HSD11B1ENPP2BACE1
Hydrochloric Acid SCHEMBL3020633 0.74 AKT1 (0.43)
SCHEMBL27602837 0.73 AKR1C1 (0.59) SLC6A2SLC6A4HSD11B1CNR2VNN1
SCHEMBL14102321 0.71 SLC6A2 (0.47) SLC6A2SLC6A4HSD11B1CNR2KDM1A
SCHEMBL14102283 0.71 SLC6A2 (0.47) SLC6A2SLC6A4HSD11B1CNR2KDM1A
SCHEMBL14102216 0.71 SLC6A2 (0.47) SLC6A2SLC6A4HSD11B1CNR2KDM1A
Ammonia Solution, Strong SCHEMBL27601226 0.71 TSHR (0.58) ENPP2DRD2DRD3CLK4TSHR
SCHEMBL21452525 0.70 PGR (0.40) SLC6A2SLC6A4PGRHSD11B1CNR2

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