SCHEMBL11554164

SCHEMBL11554164

CN(C)CCCn1c(-c2ccccc2)cc2ccc(Cl)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
SIGMAR1 Q99720 4/20 0.43
KMT2A Q03164 4/20 0.43
TP53 P04637 3/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
HTR1A P08908 3/20 0.43
CYP2D6 P10635 3/20 0.43
DRD2 P14416 3/20 0.43
HTR6 P50406 3/20 0.43
MEN1 O00255 3/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
SLC22A1 O15245 2/20 0.43
ABCB11 O95342 2/20 0.43
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM5 P08912 2/20 0.43
ADRA2A P08913 2/20 0.43
ADORA3 P0DMS8 2/20 0.43

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
SCHEMBL11558054 0.90 ACLY (0.49) MAPTSIGMAR1KMT2ATP53CYP1A2
SCHEMBL11555416 0.85 ALDH1A1 (0.57) MAPTKMT2ACYP1A2HTR1ACYP2D6
Hydrochloric Acid SCHEMBL11560746 0.84 ALDH1A1 (0.56) MAPTKMT2ACYP1A2HTR1ACYP2D6
SCHEMBL11561314 0.78 CSF1R (0.46) MAPTKMT2ACYP3A4DRD3TSHR
SCHEMBL11557398 0.77 GRIK1 (0.43) MAPTKMT2AHTR6HTR3AALDH1A1
SCHEMBL11555589 0.77 GRIK1 (0.43) MAPTKMT2AMEN1HTR3AALDH1A1
SCHEMBL11557912 0.77 WEE1 (0.49) KMT2ACYP1A2HTR6MEN1SMN1; SMN2
SCHEMBL6753291 0.77 ALDH1A1 (0.57) CYP1A2TSHRALDH1A1POLBMPO
SCHEMBL11560087 0.77 GRIK1 (0.43) MAPTSIGMAR1HTR3AALDH1A1TRPV4
SCHEMBL9168453 0.76 HTR1D (0.50) CYP1A2HTR1ACYP2D6DRD2HTR6

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-4139634-A ANTIDEPRESSANTS, ANTIAGGRESSION AGENTS, ANESTHETICS LABAZ (FR) 1979-02-13 US disclosed