SCHEMBL14573191

SCHEMBL14573191

C=CCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.58
HRH1 P35367 5/20 0.57
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2B6 P20813 1/20 0.55
CYP2J2 P51589 1/20 0.55
HTT P42858 1/20 0.54
RECQL P46063 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 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
SCHEMBL14573192 0.87 KDM4E (0.47) KCNH2HRH1CYP3A4CYP2C9CYP2B6
SCHEMBL14113589 0.83 OPRD1 (0.68) CYP3A4CYP2C9CYP2B6CYP2J2
SCHEMBL14020878 0.80 HRH1 (0.65) KCNH2HRH1HTTRECQLNPSR1
SCHEMBL6362147 0.78 KCNH2 (0.83) KCNH2HRH1HTTRECQLNPSR1
SCHEMBL10479209 0.77 HRH1 (0.63) KCNH2HRH1
SCHEMBL55533 0.77 HRH1 (0.67) KCNH2HRH1CYP3A4CYP2C9CYP2B6
SCHEMBL28021507 0.77 HTT (0.63) KCNH2HRH1CYP2C9HTTRECQL
SCHEMBL10568072 0.77 HRH1 (0.62) KCNH2HRH1
SCHEMBL9786914 0.76 HRH1 (0.66) KCNH2HRH1CYP2J2
SCHEMBL3240024 0.75 KCNH2 (0.78) KCNH2HRH1CYP3A4CYP2C9CYP2B6

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-7183367-B2 Vinyl sulphone modified polymer N.V. ORGANON (NL) 2007-02-27 US disclosed
US-7183367-B2 Vinyl sulphone modified polymer N.V. ORGANON (NL) 2007-02-27 US disclosed