SCHEMBL9253176

SCHEMBL9253176

O=C1c2ccccc2C(=O)N1CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.60
P2RX7 Q99572 1/20 0.59
KCNH2 Q12809 4/20 0.59
CYP2J2 P51589 3/20 0.58
ALDH1A1 P00352 1/20 0.56
HTR1A P08908 1/20 0.55
DRD2 P14416 1/20 0.54

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
SCHEMBL5729030 0.97 HRH1 (0.62) HRH1P2RX7KCNH2CYP2J2HTR1A
SCHEMBL10479167 0.92 HRH1 (0.58) HRH1P2RX7KCNH2CYP2J2
SCHEMBL7219639 0.85 HTR1A (0.55) HRH1ALDH1A1HTR1ADRD2
SCHEMBL9252798 0.83 HRH1 (0.48) HRH1KCNH2CYP2J2ALDH1A1
SCHEMBL9786914 0.80 HRH1 (0.66) HRH1KCNH2CYP2J2
SCHEMBL5113354 0.80 HTR1A (0.61) HRH1ALDH1A1HTR1ADRD2
SCHEMBL5694766 0.79 HRH1 (0.68) HRH1KCNH2CYP2J2
SCHEMBL16291199 0.79 KCNH2 (0.67) HRH1KCNH2CYP2J2HTR1ADRD2
SCHEMBL6619451 0.79 HRH1 (0.64) HRH1KCNH2CYP2J2HTR1ADRD2
SCHEMBL29459507 0.78 HTR1A (0.62) HRH1ALDH1A1HTR1ADRD2

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