Sugi Predict

Sugi Predict / Compounds / SCHEMBL9873244

SCHEMBL9873244

SCHEMBL9873244

CN(C)C(=O)CCCCCN1CCC(C(O)(c2cccc(F)c2)c2cccc(F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.49
▸ CYP2J2 P51589 8/20 0.48
▸ HRH1 P35367 4/20 0.46
▸ KCNH2 Q12809 2/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2B6 P20813 1/20 0.45

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
SCHEMBL9871663 0.96 CYP2J2 (0.52) MEN1CYP2J2HRH1KCNH2KMT2A
SCHEMBL9873332 0.88 CYP2J2 (0.57) CYP2J2HRH1KCNH2CYP3A4CYP2C9
SCHEMBL9873499 0.87 CYP2J2 (0.50) CYP2J2HRH1KCNH2CYP3A4CYP2C9
SCHEMBL9874390 0.87 CYP2J2 (0.61) CYP2J2HRH1KCNH2CYP3A4CYP2C9
SCHEMBL9874464 0.87 CYP2J2 (0.45) CYP2J2HRH1KCNH2
SCHEMBL9872538 0.87 CYP2J2 (0.58) CYP2J2HRH1KCNH2CYP3A4CYP2C9
SCHEMBL9872366 0.86 CYP2J2 (0.51) CYP2J2HRH1KCNH2CYP3A4CYP2C9
SCHEMBL9872496 0.86 MEN1 (0.49) MEN1CYP2J2HRH1KCNH2KMT2A
SCHEMBL9874138 0.86 MEN1 (0.49) MEN1CYP2J2HRH1KCNH2KMT2A
SCHEMBL9873578 0.86 CYP2J2 (0.62) CYP2J2HRH1KCNH2CYP3A4CYP2C9

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