SCHEMBL9875216

SCHEMBL9875216

CNC(=O)CCCN1CCC(C(O)(c2cccc(F)c2)c2cccc(F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2J2 P51589 12/20 0.52
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2B6 P20813 2/20 0.48
MEN1 O00255 6/20 0.48
HRH1 P35367 1/20 0.46
KMT2A Q03164 2/20 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
SCHEMBL9874170 0.97 MEN1 (0.49) CYP2J2CYP3A4CYP2C9CYP2B6MEN1
SCHEMBL9874399 0.94 ALDH1A1 (0.48) CYP2J2CYP3A4CYP2C9CYP2B6MEN1
SCHEMBL9874149 0.87 CYP2J2 (0.61) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL9874649 0.87 CYP2J2 (0.54) CYP2J2CYP3A4CYP2C9CYP2B6MEN1
SCHEMBL9872567 0.87 CYP2J2 (0.67) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL9874097 0.86 CYP2J2 (0.49) CYP2J2CYP3A4CYP2C9CYP2B6MEN1
SCHEMBL9871663 0.85 CYP2J2 (0.52) CYP2J2CYP3A4CYP2C9CYP2B6MEN1
SCHEMBL9871858 0.84 CYP2J2 (0.58) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL9874017 0.84 CYP2J2 (0.51) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL9872364 0.83 CYP2J2 (0.62) CYP2J2CYP3A4CYP2C9CYP2B6HRH1

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