SCHEMBL27836596

SCHEMBL27836596

CCCCCCN(CCCCCC)c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.42
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
TP53 P04637 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
KCNH2 Q12809 1/20 0.34
HTR7 P34969 5/20 0.34
HTR1A P08908 4/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL27854621 1.00 PNMT (0.42) PNMTNPC1RAB9AALDH1A1CYP1A2
SCHEMBL28794932 1.00 PNMT (0.42) PNMTNPC1RAB9AALDH1A1CYP1A2
SCHEMBL1930284 0.99 PNMT (0.43) PNMTNPC1RAB9AALDH1A1CYP1A2
SCHEMBL27836591 0.94 PNMT (0.44) PNMTNPC1RAB9AALDH1A1CYP1A2
SCHEMBL8760303 0.88 PNMT (0.46) PNMTNPC1RAB9AALDH1A1CYP1A2
SCHEMBL1928347 0.84 PNMT (0.38) PNMTNPC1RAB9AALDH1A1CYP1A2
SCHEMBL20542552 0.83 PGR (0.36) PNMTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL16559092 0.82 PNMT (0.49) PNMTNPC1RAB9AALDH1A1CYP1A2
SCHEMBL16577687 0.79 PNMT (0.46) PNMTNPC1RAB9AALDH1A1CYP1A2
SCHEMBL17442972 0.78 PNMT (0.33) PNMTNPC1RAB9AALDH1A1CYP1A2

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
CN-102005607-A Non-aqueous electrolyte battery SHARP KK 2011-04-06 CN disclosed