SCHEMBL9873322

SCHEMBL9873322

CN(C)C(=O)CCCN1CCC(C(O)(c2ccc(F)c(F)c2)c2ccc(F)c(F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2J2 P51589 11/20 0.49
DNMT1 P26358 1/20 0.45
EHMT2 Q96KQ7 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2B6 P20813 1/20 0.45
LMNA P02545 1/20 0.42
CNR1 P21554 1/20 0.42
APEX1 P27695 1/20 0.42
PDE4A P27815 1/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.42
HTR2B P41595 1/20 0.42
BLM P54132 1/20 0.42
KCNH2 Q12809 1/20 0.42
PDE3A Q14432 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
SCHEMBL9872254 0.97 CYP2J2 (0.46) CYP2J2DNMT1EHMT2LMNACNR1
SCHEMBL9874464 0.96 CYP2J2 (0.45) CYP2J2DNMT1EHMT2LMNACNR1
SCHEMBL9874468 0.88 CYP2J2 (0.54) CYP2J2DNMT1EHMT2CYP3A4CYP2C9
SCHEMBL9871663 0.86 CYP2J2 (0.52) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL9873141 0.85 CYP2J2 (0.54) CYP2J2DNMT1EHMT2CYP3A4CYP2C9
SCHEMBL9874097 0.85 CYP2J2 (0.49) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL9872366 0.84 CYP2J2 (0.51) CYP2J2DNMT1EHMT2CYP3A4CYP2C9
SCHEMBL9874469 0.84 CYP2J2 (0.65) CYP2J2CYP3A4CYP2C9CYP2B6LMNA
SCHEMBL9874355 0.84 CYP2J2 (0.61) CYP2J2CYP3A4CYP2C9CYP2B6LMNA
SCHEMBL9873499 0.83 CYP2J2 (0.50) CYP2J2DNMT1EHMT2CYP3A4CYP2C9

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