SCHEMBL7309744

SCHEMBL7309744

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
EPHX2 P34913 2/20 0.36
TSHR P16473 1/20 0.35
GGPS1 O95749 1/20 0.35
SCN5A Q14524 3/20 0.34
SCN9A Q15858 3/20 0.34
MAOB P27338 1/20 0.34
TLR8 Q9NR97 1/20 0.34
CCR1 P32246 1/20 0.34
KIF11 P52732 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMPD1 P17405 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
SCHEMBL7309094 0.88 CNR1 (0.46) EBPSIGMAR1CNR1CNR2CASP1
SCHEMBL30167338 0.88 CNR1 (0.46) EBPSIGMAR1CNR1CNR2CASP1
SCHEMBL7320577 0.86 EBP (0.42) EBPSIGMAR1CNR1CNR2CASP1
SCHEMBL7313305 0.85 EBP (0.42) EBPSIGMAR1CNR1CNR2CASP1
SCHEMBL11092926 0.84 EBP (0.43) EBPSIGMAR1CNR1CNR2EPHX2
SCHEMBL10423077 0.81 CASP1 (0.60) EBPSIGMAR1CNR1CNR2CASP1
SCHEMBL7322417 0.80 CHRM2 (0.46) EBPSIGMAR1EPHX2MEN1KMT2A
Anipamil SCHEMBL247837 0.80 SIGMAR1 (0.69) EBPSIGMAR1EPHX2TSHRSCN5A
Anipamil SCHEMBL31479919 0.80 SIGMAR1 (0.69) EBPSIGMAR1EPHX2TSHRSCN5A
Anipamil SCHEMBL7199272 0.79 SIGMAR1 (0.67) EBPSIGMAR1EPHX2TSHRSCN5A

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