SCHEMBL9873147

SCHEMBL9873147

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.51
CYP2J2 P51589 3/20 0.45
HDAC6 Q9UBN7 1/20 0.44
KMT2A Q03164 2/20 0.42
NPY2R P49146 1/20 0.42
HRH1 P35367 2/20 0.42
KCNH2 Q12809 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
SCHEMBL9874473 0.99 MEN1 (0.51) MEN1CYP2J2HDAC6KMT2ANPY2R
SCHEMBL9873458 0.97 MEN1 (0.51) MEN1CYP2J2KMT2ANPY2R
SCHEMBL9873332 0.89 CYP2J2 (0.57) CYP2J2HRH1KCNH2
SCHEMBL9873499 0.88 CYP2J2 (0.50) CYP2J2HRH1KCNH2
SCHEMBL9872538 0.88 CYP2J2 (0.58) CYP2J2HRH1KCNH2
SCHEMBL9874459 0.88 MEN1 (0.51) MEN1CYP2J2KMT2AHRH1KCNH2
SCHEMBL9874301 0.88 MEN1 (0.51) MEN1CYP2J2KMT2AHRH1KCNH2
SCHEMBL9872366 0.87 CYP2J2 (0.51) CYP2J2HRH1KCNH2
SCHEMBL9874231 0.86 MEN1 (0.51) MEN1CYP2J2HDAC6KMT2AHRH1
SCHEMBL9874355 0.85 CYP2J2 (0.61) 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