SCHEMBL9514760

SCHEMBL9514760

CN(CCN)C(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
PRMT8 Q9NR22 1/20 0.47
HRH1 P35367 6/20 0.45
HTR2A P28223 6/20 0.45
TAAR1 Q96RJ0 4/20 0.43
AOC3 Q16853 2/20 0.42
OPRM1 P35372 2/20 0.42
OPRD1 P41143 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
LMNA P02545 1/20 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

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
SCHEMBL11471518 0.82 HRH1 (0.48) CARM1PRMT6PRMT8HRH1HTR2A
SCHEMBL10513477 0.81 HTR2A (0.47) HRH1HTR2AAOC3OPRM1OPRD1
SCHEMBL13060870 0.81 HTR2A (0.57) HRH1HTR2ATAAR1OPRM1OPRD1
SCHEMBL5099632 0.81 CHRM2 (0.47) CARM1PRMT6PRMT8HRH1HTR2A
SCHEMBL9513844 0.79 HTR2A (0.45) HRH1HTR2AAOC3OPRM1OPRD1
SCHEMBL8133703 0.79 HTR2A (0.45) HRH1HTR2AAOC3OPRM1OPRD1
SCHEMBL7981758 0.79 OPRM1 (0.46) HRH1HTR2AAOC3OPRM1OPRD1
Hydrochloric Acid SCHEMBL173872 0.77 HRH1 (0.46) CARM1PRMT6PRMT8HRH1HTR2A
SCHEMBL28729975 0.76 OPRD1 (0.50) CARM1PRMT6PRMT8HRH1HTR2A
SCHEMBL5100202 0.76 OPRM1 (0.65) HRH1HTR2ATAAR1OPRM1OPRD1

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