SCHEMBL20634844

SCHEMBL20634844

CCCc1ccc(Cl)c(P)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
SIGMAR1 Q99720 10/20 0.42
PNMT P11086 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36

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
SCHEMBL429772 0.80 PNMT (0.61) CNR1CNR2SIGMAR1PNMTTAAR1
SCHEMBL8963358 0.77 CNR1 (0.45) CNR1CNR2MAPTLPLLIPG
SCHEMBL7637395 0.77 CNR1 (0.45) CNR1CNR2SIGMAR1PNMTTAAR1
SCHEMBL12841593 0.77 SKP2 (0.46) CNR1CNR2SIGMAR1PNMTTAAR1
SCHEMBL3788823 0.75 TP53 (0.46) CNR1CNR2SIGMAR1PNMTTAAR1
SCHEMBL9512057 0.75 CNR1 (0.59) CNR1CNR2ALDH1A1
SCHEMBL530150 0.75 PNMT (0.45) CNR1CNR2SIGMAR1PNMTTAAR1
Ammonia Solution, Strong SCHEMBL6341561 0.73 PNMT (0.44) CNR1CNR2SIGMAR1PNMTTAAR1
SCHEMBL8338503 0.72 SIGMAR1 (0.47) CNR1CNR2SIGMAR1PNMTTAAR1
SCHEMBL12045765 0.72 ALOX5 (0.47) CNR1CNR2SIGMAR1PNMTTAAR1

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
EP-2875001-B1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS SUNSHINE LAKE PHARMA CO LTD (CN) 2019-01-09 EP disclosed