SCHEMBL9873531

SCHEMBL9873531

CNC(=O)CCCN1CCC(C(O)(c2ccc(F)cc2)c2ccccn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
CYP2J2 P51589 8/20 0.48
HRH1 P35367 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2B6 P20813 1/20 0.44
PRCP P42785 2/20 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
SCHEMBL9874231 0.98 MEN1 (0.51) MEN1CYP2J2HRH1PRCP
SCHEMBL9873310 0.94 MEN1 (0.49) MEN1CYP2J2PRCP
SCHEMBL9874149 0.87 CYP2J2 (0.61) CYP2J2HRH1CYP3A4CYP2C9CYP2B6
SCHEMBL9874649 0.87 CYP2J2 (0.54) MEN1CYP2J2HRH1CYP3A4CYP2C9
SCHEMBL9873458 0.87 MEN1 (0.51) MEN1CYP2J2CYP3A4CYP2C9CYP2B6
SCHEMBL9871858 0.86 CYP2J2 (0.58) CYP2J2HRH1CYP3A4CYP2C9CYP2B6
SCHEMBL9874017 0.86 CYP2J2 (0.51) CYP2J2HRH1CYP3A4CYP2C9CYP2B6
SCHEMBL9874473 0.85 MEN1 (0.51) MEN1CYP2J2HRH1
SCHEMBL9873147 0.84 MEN1 (0.51) MEN1CYP2J2HRH1
SCHEMBL9786921 0.84 MEN1 (0.57) MEN1CYP2J2HRH1

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