SCHEMBL7313305

SCHEMBL7313305

CCCCCCCCCCCCCC(C#N)(CCC=O)c1cccc(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CNR1 P21554 4/20 0.41
CNR2 P34972 4/20 0.41
EPHX2 P34913 5/20 0.38
FAAH O00519 2/20 0.38
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
GRM2 Q14416 1/20 0.34
CYP2D6 P10635 1/20 0.34
CACNA1B Q00975 1/20 0.34
GGPS1 O95749 1/20 0.33

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
SCHEMBL7309744 0.85 EBP (0.44) EBPSIGMAR1CNR1CNR2EPHX2
SCHEMBL7309094 0.85 CNR1 (0.46) EBPSIGMAR1CNR1CNR2EPHX2
SCHEMBL30167338 0.85 CNR1 (0.46) EBPSIGMAR1CNR1CNR2EPHX2
SCHEMBL11092926 0.83 EBP (0.43) EBPSIGMAR1CNR1CNR2EPHX2
SCHEMBL7320577 0.83 EBP (0.42) EBPSIGMAR1CNR1CNR2EPHX2
SCHEMBL7322417 0.80 CHRM2 (0.46) EBPSIGMAR1EPHX2CYP2D6
SCHEMBL5753072 0.78 EBP (0.50) EBPSIGMAR1CYP2D6
Anipamil SCHEMBL31479919 0.77 SIGMAR1 (0.69) EBPSIGMAR1EPHX2GAAMAPT
Anipamil SCHEMBL247837 0.77 SIGMAR1 (0.69) EBPSIGMAR1EPHX2GAAMAPT
Anipamil SCHEMBL7199272 0.76 SIGMAR1 (0.67) EBPSIGMAR1EPHX2GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4438131-A CARDIOVASCULAR DISORDERS BASF AKTIENGESELLSCHAFT (DE) 1984-03-20 US disclosed
EP-0064158-A1 Omega-cyano-1, omega-diphenyl azalcane derivatives, their preparation and pharmaceutical preparations containing them BASF Aktiengesellschaft (DE) 1982-11-10 EP disclosed