SCHEMBL9252798

SCHEMBL9252798

O=C1c2ccccc2C(=O)N1CCN1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.48
CYP2J2 P51589 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
KCNH2 Q12809 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL10479167 0.90 HRH1 (0.58) HRH1CYP2J2KCNH2HTTRECQL
SCHEMBL9253176 0.83 HRH1 (0.60) HRH1CYP2J2ALDH1A1KCNH2
SCHEMBL5729030 0.83 HRH1 (0.62) HRH1CYP2J2KCNH2
SCHEMBL9786852 0.78 CYP19A1 (0.50) HRH1CYP2J2KCNH2
SCHEMBL9232521 0.77 HTR2A (0.67) KDM4ELMNA
SCHEMBL9256393 0.77 CYP19A1 (0.49) HRH1KCNH2
SCHEMBL9786858 0.77 CYP2J2 (0.58) HRH1CYP2J2LMNAMAPTKCNH2
SCHEMBL5407596 0.77 ACHE (0.53)
SCHEMBL9786842 0.76 CYP2J2 (0.51) HRH1CYP2J2LMNAMAPTKCNH2
SCHEMBL9873355 0.75 CYP2J2 (0.48) HRH1CYP2J2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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