SCHEMBL12668369

SCHEMBL12668369

CC(c1nccc(=O)[nH]1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 19/20 0.69
▸ KCNH2 Q12809 10/20 0.69
▸ CHRM1 P11229 8/20 0.69
▸ ADRA2A P08913 1/20 0.69
▸ HTR2B P41595 1/20 0.69
▸ PDE4D Q08499 1/20 0.69
▸ PDE3A Q14432 1/20 0.69
▸ CYP2D6 P10635 17/20 0.58
▸ HTR3A P46098 1/20 0.56
▸ CYP3A4 P08684 1/20 0.53

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
Mizolastine SCHEMBL29369194 0.82 HRH1 (1.00) HRH1KCNH2CHRM1ADRA2AHTR2B
Mizolastine SCHEMBL5061 0.82 HRH1 (1.00) HRH1KCNH2CHRM1ADRA2AHTR2B
Mizolastine SCHEMBL28266367 0.81 HRH1 (0.95) HRH1KCNH2CHRM1ADRA2AHTR2B
Mizolastine SCHEMBL29256081 0.81 HRH1 (0.98) HRH1KCNH2CHRM1ADRA2AHTR2B
SCHEMBL21984846 0.81 HRH1 (0.69) HRH1KCNH2CHRM1ADRA2AHTR2B
SCHEMBL5229655 0.74 HRH1 (0.73) HRH1KCNH2CHRM1CYP2D6HTR3A
SCHEMBL5227691 0.74 HTR3A (0.72) HRH1KCNH2CHRM1ADRA2AHTR2B
SCHEMBL10337972 0.74 HRH1 (0.73) HRH1KCNH2CHRM1CYP2D6HTR3A
SCHEMBL31553435 0.73 HRH1 (1.00) HRH1KCNH2CHRM1CYP2D6HTR3A
SCHEMBL5226378 0.73 HRH1 (1.00) HRH1KCNH2CHRM1CYP2D6HTR3A

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
US-20110121236-A1 COMPOSITION AND LIGHT-EMITTING ELEMENT USING THE COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-26 — — US disclosed
US-20110121236-A1 COMPOSITION AND LIGHT-EMITTING ELEMENT USING THE COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-26 — — US disclosed
EP-2309563-A1 COMPOSITION AND LIGHT-EMITTING ELEMENT USING THE COMPOSITION Sumitomo Chemical Company, Limited (JP) 2011-04-13 — — EP disclosed
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