SCHEMBL9513844

SCHEMBL9513844

CN(CCCl)C(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.45
HRH1 P35367 4/20 0.45
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 3/20 0.40
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2D6 P10635 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA2B P18089 1/20 0.40
CHRM3 P20309 1/20 0.40
SLC6A2 P23975 1/20 0.40
HRH2 P25021 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40

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
SCHEMBL10513477 0.81 HTR2A (0.47) HTR2AHRH1OPRM1OPRD1TDP1
SCHEMBL13060870 0.81 HTR2A (0.57) HTR2AHRH1OPRM1OPRD1TDP1
SCHEMBL6820428 0.80 HTR2A (0.42) HTR2AHRH1OPRM1OPRD1TDP1
Hydrochloric Acid SCHEMBL7625519 0.80 AOC3 (0.41) HTR2AHRH1TDP1LMNATSHR
SCHEMBL19471218 0.79 POLB (0.37) HTR2AHRH1OPRM1OPRD1TDP1
SCHEMBL8133703 0.79 HTR2A (0.45) HTR2AHRH1OPRM1OPRD1TDP1
SCHEMBL9514760 0.79 CARM1 (0.47) HTR2AHRH1OPRM1OPRD1TDP1
SCHEMBL7981758 0.79 OPRM1 (0.46) HTR2AHRH1OPRM1OPRD1TDP1
Hydrochloric Acid SCHEMBL28181773 0.79 TDP1 (0.42) HTR2AHRH1OPRM1TDP1LMNA
SCHEMBL5100202 0.76 OPRM1 (0.65) HTR2AHRH1OPRM1OPRD1TDP1

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
EP-0333938-B1 2-HYDROXY-3-ARYLOXY-PROPYLAMINE DERIVATIVES HAVING CARDIOVASCULAR ACTIVITY ZAMBON GROUP S.p.A. (IT) 1993-04-14 EP disclosed
US-5047425-A Amine derivatives having cardiovascular activity SIMES SOCIETA ITALIANA MEDICINALI & SINTETICI SPA (IT) 1991-09-10 US disclosed
EP-0333938-A1 2-Hydroxy-3-aryloxy-propylamine derivatives having cardiovascular activity ZAMBON GROUP S.p.A. (IT) 1989-09-27 EP disclosed