SCHEMBL16168595

SCHEMBL16168595

CC[N+]1(Cc2ccccc2)CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.41
SIGMAR1 Q99720 2/20 0.39
GBA1 P04062 1/20 0.39
TP53 P04637 1/20 0.37
HIF1A Q16665 2/20 0.35
CYP2D6 P10635 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
ORAI1 Q96D31 1/20 0.33
ORAI2 Q96SN7 1/20 0.33
ORAI3 Q9BRQ5 1/20 0.33
TRPV6 Q9H1D0 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 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
SCHEMBL3375191 0.89 CHRNA7 (0.39) CHRNA7SIGMAR1GBA1TP53HIF1A
SCHEMBL1964501 0.82 CHRNA7 (0.44) CHRNA7TP53HIF1ACYP2D6CHRNB4
SCHEMBL8965143 0.81 CHRNA7 (0.43) CHRNA7TP53HIF1ACYP2D6CHRNB4
SCHEMBL5944660 0.81 CHRNA7 (0.43) CHRNA7TP53HIF1ACYP2D6CHRNB4
SCHEMBL7782665 0.81 SIGMAR1 (0.37) SIGMAR1GBA1HIF1ACYP2D6SLC6A2
SCHEMBL10860816 0.79 SIGMAR1 (0.37) SIGMAR1GBA1HIF1ACYP2D6SLC6A2
SCHEMBL8056810 0.78 CHRNA7 (0.44) CHRNA7SIGMAR1TP53HIF1ACYP2D6
SCHEMBL7833641 0.77 CHRM3 (0.43) CHRNA7SIGMAR1GBA1HIF1AKMT2A
SCHEMBL15624979 0.75 CHRNA7 (0.39) CHRNA7TP53HIF1ACYP2D6KMT2A
SCHEMBL6440687 0.75 HIF1A (0.47) SIGMAR1GBA1HIF1ASLC6A2SLC6A4

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-2644379-B1 Method of producing a planographic printing plate FUJIFILM CORP (JP) 2014-10-15 EP disclosed