SCHEMBL9874301

SCHEMBL9874301

CCOC(=O)CCCCCN1CCC(C(O)(c2ccc(F)cc2)c2ccccn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.51
CYP2J2 P51589 5/20 0.44
KMT2A Q03164 2/20 0.43
HRH1 P35367 2/20 0.42
KCNH2 Q12809 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2B6 P20813 1/20 0.42
FAAH O00519 1/20 0.42

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
SCHEMBL9874459 1.00 MEN1 (0.51) MEN1CYP2J2KMT2AHRH1KCNH2
SCHEMBL9874030 0.89 CYP2J2 (0.56) CYP2J2HRH1KCNH2CYP3A4CYP2C9
SCHEMBL9873159 0.89 CYP2J2 (0.56) CYP2J2HRH1KCNH2CYP3A4CYP2C9
SCHEMBL9872280 0.89 CYP2J2 (0.49) CYP2J2HRH1KCNH2CYP3A4CYP2C9
SCHEMBL9871856 0.89 CYP2J2 (0.49) CYP2J2HRH1KCNH2CYP3A4CYP2C9
SCHEMBL9873618 0.89 CYP2J2 (0.49) CYP2J2HRH1KCNH2CYP3A4CYP2C9
SCHEMBL9873215 0.89 CYP2J2 (0.49) CYP2J2HRH1KCNH2CYP3A4CYP2C9
SCHEMBL9873261 0.89 CYP2J2 (0.49) CYP2J2HRH1KCNH2CYP3A4CYP2C9
SCHEMBL9786870 0.88 CYP2J2 (0.50) CYP2J2HRH1KCNH2CYP3A4CYP2C9
SCHEMBL9873147 0.88 MEN1 (0.51) MEN1CYP2J2KMT2AHRH1KCNH2

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