SCHEMBL3375191

SCHEMBL3375191

CC[N+]1(Cc2ccccc2)CCNC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.39
TP53 P04637 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
GBA1 P04062 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP2D6 P10635 1/20 0.33
HSD11B1 P28845 1/20 0.31
HTR2A P28223 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
SCHEMBL16168595 0.89 CHRNA7 (0.41) CHRNA7TP53SIGMAR1GBA1HIF1A
SCHEMBL7782665 0.89 SIGMAR1 (0.37) SIGMAR1GBA1HIF1ACYP2D6HTR2A
SCHEMBL1964501 0.76 CHRNA7 (0.44) CHRNA7TP53HIF1ACYP2D6
SCHEMBL3960924 0.74
SCHEMBL8965143 0.74 CHRNA7 (0.43) CHRNA7TP53HIF1ACYP2D6
SCHEMBL5944660 0.74 CHRNA7 (0.43) CHRNA7TP53HIF1ACYP2D6
SCHEMBL10860816 0.72 SIGMAR1 (0.37) SIGMAR1GBA1HIF1ACYP2D6
SCHEMBL6688133 0.71 SIGMAR1 (0.39) SIGMAR1GBA1HIF1AHTR2A
SCHEMBL8056810 0.71 CHRNA7 (0.44) CHRNA7TP53SIGMAR1HIF1ACYP2D6
SCHEMBL7833641 0.71 CHRM3 (0.43) CHRNA7SIGMAR1GBA1HIF1A

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-1703890-B1 PEARLIZER CONCENTRATE AND ITS USE IN PERSONAL CARE COMPOSITIONS RHODIA (US) 2010-11-17 EP claimed