SCHEMBL7969255

SCHEMBL7969255

CCCN(CCCC(C#N)(c1ccccc1Cl)C(C)C)C(C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KCNH2 Q12809 3/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
ADRA1A P35348 2/20 0.32
OPRK1 P41145 1/20 0.32
CYP3A4 P08684 4/20 0.31
ABCB1 P08183 3/20 0.31
ABCC1 P33527 3/20 0.31
CYP2C19 P33261 2/20 0.31
MEN1 O00255 2/20 0.31
ABCB11 O95342 2/20 0.31
KMT2A Q03164 2/20 0.31
TSHR P16473 2/20 0.31
LMNA P02545 2/20 0.31
SLC22A1 O15245 1/20 0.31
CACNA1F O60840 1/20 0.31
CHRM2 P08172 1/20 0.31

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
SCHEMBL7969422 0.92 SIGMAR1 (0.42) EBPSIGMAR1L3MBTL1KCNH2HTR2A
SCHEMBL7968572 0.89 EBP (0.42) EBPSIGMAR1L3MBTL1KCNH2HTR2A
SCHEMBL7969028 0.89 EBP (0.42) EBPSIGMAR1L3MBTL1KCNH2HTR2A
SCHEMBL7969853 0.87 EBP (0.42) EBPSIGMAR1L3MBTL1KCNH2HTR2A
SCHEMBL7972445 0.87 EBP (0.42) EBPSIGMAR1L3MBTL1KCNH2HTR2A
SCHEMBL7968385 0.85 EBP (0.46) EBPSIGMAR1L3MBTL1KCNH2HTR2A
SCHEMBL7967036 0.85 EBP (0.49) EBPSIGMAR1L3MBTL1KCNH2HTR2A
SCHEMBL7971768 0.84 EBP (0.43) EBPSIGMAR1L3MBTL1KCNH2HTR2A
SCHEMBL7965518 0.84 EBP (0.44) EBPSIGMAR1L3MBTL1KCNH2HTR2A
SCHEMBL7971420 0.83 EBP (0.47) EBPSIGMAR1L3MBTL1KCNH2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265439-B1 Halogenated phenylacetonitrile alkylaminoalkylphenyl compounds as immunosuppressives G.D. SEARLE & CO. 2001-07-24 US disclosed