SCHEMBL7320577

SCHEMBL7320577

CCCCCCCCCCCCC(C#N)(CCCNC)c1cccc(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
CYP3A4 P08684 1/20 0.41
CHRM2 P08172 2/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
EPHX2 P34913 3/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
FAAH O00519 1/20 0.34
TLR8 Q9NR97 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 0.86 EBP (0.44) EBPSIGMAR1CNR1CNR2EPHX2
SCHEMBL7309094 0.86 CNR1 (0.46) EBPSIGMAR1CNR1CNR2EPHX2
SCHEMBL30167338 0.86 CNR1 (0.46) EBPSIGMAR1CNR1CNR2EPHX2
SCHEMBL7322417 0.85 CHRM2 (0.46) EBPSIGMAR1CYP3A4CHRM2CHRM1
SCHEMBL7313305 0.83 EBP (0.42) EBPSIGMAR1CNR1CNR2EPHX2
SCHEMBL11092926 0.82 EBP (0.43) EBPSIGMAR1CNR1CNR2EPHX2
SCHEMBL9788894 0.78 CNR1 (0.38) EBPSIGMAR1CNR1CNR2EPHX2
Anipamil SCHEMBL31479919 0.78 SIGMAR1 (0.69) EBPSIGMAR1CYP3A4CHRM2EPHX2
Anipamil SCHEMBL247837 0.78 SIGMAR1 (0.69) EBPSIGMAR1CYP3A4CHRM2EPHX2
Anipamil SCHEMBL7199272 0.77 SIGMAR1 (0.67) EBPSIGMAR1CYP3A4CHRM2EPHX2

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