SCHEMBL7608274

SCHEMBL7608274

CCCC1CC=Cc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
NFKB1 P19838 1/20 0.37
CHRM3 P20309 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
THPO P40225 1/20 0.37
OPRK1 P41145 1/20 0.37

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
SCHEMBL27660579 0.88 CYSLTR2 (0.39) HTR2AKDM4ELMNATP53CHRM2
SCHEMBL30616031 0.85 CYP11B1 (0.40) HTR2AKDM4ELMNATP53CHRM2
SCHEMBL28935579 0.85 CYP11B1 (0.40) HTR2AKDM4ELMNATP53CHRM2
SCHEMBL6247077 0.82 HTR2A (0.36) HTR2AKDM4ELMNATP53CHRM2
SCHEMBL4273014 0.78 HTR2A (0.38) HTR2AKDM4ELMNATP53CHRM2
SCHEMBL7046660 0.78 HTR2A (0.38) HTR2AKDM4ELMNATP53CHRM2
SCHEMBL10827811 0.78 HTR2A (0.38) HTR2AKDM4ELMNATP53CHRM2
SCHEMBL7598710 0.77 RET (0.36) HTR2AKDM4ELMNATP53CHRM2
SCHEMBL6962523 0.77 KDM4E (0.33) HTR2AKDM4ELMNATP53CHRM2
SCHEMBL3105168 0.75 HTR2A (0.36) HTR2AKDM4ELMNATP53CHRM2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107085033-B Application of the N- phenylnaphthalene aminated compounds as MALDI matrix 中国科学院化学研究所 2019-07-19 CN disclosed
EP-1265848-A2 AMINES SUBSTITUTED WITH A DIHYDRONAPHTHALENYL, CRHOMENYL, OR THIOCHROMENYL GROUP, AN ARYL OR HETEROARYL GROUP AND AN ALKYL GROUP, HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY Allergan Sales, Inc. (US) 2002-12-18 EP disclosed
WO-2001070668-A2 AMINES SUBSTITUTED WITH A DIHYDRONAPHTHALENYL, CRHOMENYL, OR THIOCHROMENYL GROUP, AN ARYL OR HETEROARYL GROUP AND AN ALKYL GROUP, HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 2001-09-27 WO disclosed