SCHEMBL9257091

SCHEMBL9257091

Fc1ccccc1C(=C1CC[N]CC1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
SETD7 Q8WTS6 1/20 0.39
LMNA P02545 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
CHRNA4 P43681 1/20 0.39
HTR3A P46098 1/20 0.39
KCNH2 Q12809 1/20 0.39
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
ALDH1A1 P00352 3/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL9258377 0.90 CES2 (0.42) OPRM1OPRD1CES2CES1ALDH1A1
SCHEMBL9038594 0.82 HTR2A (0.53) OPRM1OPRD1SETD7LMNACHRM2
SCHEMBL9253634 0.81 SETD7 (0.43) SETD7LMNACHRM2CYP2D6CHRM1
SCHEMBL9249498 0.80 ALDH1A1 (0.40) SETD7LMNACHRM2CYP2D6CHRM1
Hydrochloric Acid SCHEMBL10601940 0.79 OPRD1 (0.62) OPRM1OPRD1SETD7LMNACHRM2
SCHEMBL9253170 0.76 OPRM1 (0.48) OPRM1OPRD1SETD7LMNACHRM2
SCHEMBL1629224 0.72 OPRM1 (0.49) OPRM1OPRD1LMNACHRM2CHRM1
SCHEMBL10042117 0.72 OPRM1 (0.49) OPRM1OPRD1SETD7LMNACES2
SCHEMBL1630754 0.71 OPRM1 (0.48) OPRM1OPRD1LMNACHRM2CHRM1
SCHEMBL5200726 0.71 OPRD1 (0.42) OPRM1OPRD1HTR2AHTR2BCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5470851-A Antihistamine, anticoagulants SANKYO COMPANY, LIMITED (JP) 1995-11-28 US claimed
EP-0463873-A1 Thiazolidinecarboxylic acid amide derivatives having anti-allergic activity, their preparation and their use Sankyo Company Limited (JP) 1992-01-02 EP claimed
US-5470851-A Antihistamine, anticoagulants SANKYO COMPANY, LIMITED (JP) 1995-11-28 US disclosed
EP-0463873-A1 Thiazolidinecarboxylic acid amide derivatives having anti-allergic activity, their preparation and their use Sankyo Company Limited (JP) 1992-01-02 EP disclosed