SCHEMBL8554425

SCHEMBL8554425

[CH2]CCCOc1c(C)cc(C#N)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 2/20 0.43
MAPT P10636 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GRM5 P41594 2/20 0.31
ABCC3 O15438 1/20 0.31
ESR1 P03372 1/20 0.31
PGR P06401 1/20 0.31
CHRM2 P08172 1/20 0.31
ABCB1 P08183 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADRA2A P08913 1/20 0.31
CHRM1 P11229 1/20 0.31
CYP2C9 P11712 1/20 0.31
DRD1 P21728 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
SCHEMBL8552558 0.91 SCN8A (0.40) SCN8AMAPTMRGPRX4KMT2ACYP1A2
SCHEMBL28412531 0.80 HTR1A (0.41) SCN8AMAPTMRGPRX4KMT2AKDM4E
SCHEMBL30123599 0.79 SCN8A (0.41) SCN8AMAPTMRGPRX4MEN1KMT2A
SCHEMBL8137092 0.79 SCN8A (0.41) SCN8AMAPTMEN1KMT2ACYP1A2
SCHEMBL24942168 0.79 KDM4E (0.49) SCN8AMEN1KMT2ACYP1A2CYP2D6
SCHEMBL347967 0.77 KDM4E (0.46) SCN8AMAPTMEN1KMT2ACYP1A2
SCHEMBL13480569 0.77 GPR35 (0.41) SCN8AMAPTCYP1A2KDM4EALDH1A1
SCHEMBL8555408 0.77 SCN8A (0.39) SCN8AMAPTMRGPRX4MEN1KMT2A
SCHEMBL8876567 0.77 SCN8A (0.39) SCN8AMAPTMEN1KMT2ACYP1A2
SCHEMBL9523339 0.77 SCN8A (0.39) SCN8AMAPTMEN1KMT2ACYP1A2

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-5846986-A Therapeutic phenoxyalkylazoles and phenoxyalkylazines SANOFI (FR) 1998-12-08 US disclosed