SCHEMBL9873324

SCHEMBL9873324

O=C(CCN1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1)N(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2J2 P51589 7/20 0.51
HRH1 P35367 2/20 0.47
KCNH2 Q12809 1/20 0.47
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
Hydrochloric Acid SCHEMBL9871228 0.91 CYP2J2 (0.55) CYP2J2HRH1KCNH2
Hydrochloric Acid SCHEMBL9871226 0.91 CYP2J2 (0.55) CYP2J2HRH1KCNH2
SCHEMBL9873292 0.89 CYP2J2 (0.52) CYP2J2HRH1KCNH2
SCHEMBL9873350 0.85 CYP2J2 (0.48) CYP2J2HRH1KCNH2
SCHEMBL11799658 0.81 CYP2J2 (0.69) CYP2J2HRH1KCNH2
SCHEMBL9874355 0.81 CYP2J2 (0.61) CYP2J2HRH1KCNH2
Hydrochloric Acid SCHEMBL9873269 0.81 CYP2J2 (0.56) CYP2J2HRH1KCNH2
SCHEMBL9874072 0.81 RECQL (0.66) CYP2J2HTTRECQLNPSR1
SCHEMBL9873355 0.81 CYP2J2 (0.48) CYP2J2HRH1KCNH2
SCHEMBL9872538 0.81 CYP2J2 (0.58) CYP2J2HRH1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5057524-A Asthma, dermatitis A. H. ROBINS COMPANY INCORPORATED (US) 1991-10-15 US disclosed