SCHEMBL9874231

SCHEMBL9874231

CNC(=O)CCCCN1CCC(C(O)(c2ccc(F)cc2)c2ccccn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
CYP2J2 P51589 3/20 0.46
HDAC6 Q9UBN7 2/20 0.45
HRH1 P35367 2/20 0.44
PRCP P42785 2/20 0.43
KMT2A Q03164 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL9873531 0.98 MEN1 (0.51) MEN1CYP2J2HRH1PRCP
SCHEMBL9873310 0.94 MEN1 (0.49) MEN1CYP2J2PRCP
SCHEMBL9871858 0.88 CYP2J2 (0.58) CYP2J2HRH1KCNH2
SCHEMBL9874017 0.88 CYP2J2 (0.51) CYP2J2HRH1KCNH2
SCHEMBL9874473 0.87 MEN1 (0.51) MEN1CYP2J2HDAC6HRH1KMT2A
SCHEMBL9873147 0.86 MEN1 (0.51) MEN1CYP2J2HDAC6HRH1KMT2A
SCHEMBL9874149 0.85 CYP2J2 (0.61) CYP2J2HRH1KCNH2
SCHEMBL9873458 0.85 MEN1 (0.51) MEN1CYP2J2KMT2A
SCHEMBL9874649 0.85 CYP2J2 (0.54) MEN1CYP2J2HRH1KMT2AKCNH2
SCHEMBL9874459 0.85 MEN1 (0.51) MEN1CYP2J2HRH1KMT2AKCNH2

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