SCHEMBL22638053

SCHEMBL22638053

CC1=Cc2cc(Cl)ccc2OC12C(C)c1ccccc1N2CCCO

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
GABRA1 P14867 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A2 P23975 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
ADRA1B P35368 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2B P41595 1/20 0.33
HTR3A P46098 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
SCHEMBL22637431 0.88 MEN1 (0.32) MEN1PLIN1LMNAGAAMAPT
SCHEMBL22637479 0.86 MEN1 (0.30) MEN1PLIN1LMNAGAAMAPT
SCHEMBL21582641 0.78 MAPT (0.35) CHRM2HTR1AADRA2ADRD1SLC6A4
SCHEMBL8680042 0.75 CHRM2 (0.35) CHRM2HTR1AADRA2ADRD1SLC6A4
SCHEMBL7611324 0.70 TP53 (0.41) DRD2DRD4MEN1LMNAGAA
SCHEMBL8951892 0.67 CNR1 (0.35) MEN1LMNAGAAMAPTTHRB
SCHEMBL8680354 0.55 MAPT (0.74) DRD2DRD4CHRM2HTR1AADRA2A
SCHEMBL28983390 0.55 GPR3 (0.33) MEN1LMNAGAAMAPTTHRB
SCHEMBL11719077 0.54 MDM2 (0.36) DRD4KMT2A
SCHEMBL28975448 0.54 CNR2 (0.42) KCNH2MEN1LMNAKMT2A

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
WO-2020227226-A1 LIGHT-RESPONSIVE TEMPORARY ADHESIVES AND USE THEREOF BRANDEIS UNIVERSITY (US) 2020-11-12 WO disclosed