SCHEMBL9875145

SCHEMBL9875145

CNC(=O)CCCCN1CCC(C(O)(c2ccc(F)c(F)c2)c2ccc(F)c(F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2J2 P51589 5/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HRH1 P35367 5/20 0.44
KCNH2 Q12809 3/20 0.43
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
DRD3 P35462 1/20 0.42
HTR2B P41595 1/20 0.42
BLM P54132 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
SCHEMBL9874097 0.97 CYP2J2 (0.49) CYP2J2MEN1KMT2AHRH1
SCHEMBL9871242 0.92 MEN1 (0.53) CYP2J2MEN1KMT2ALMNA
SCHEMBL9874017 0.88 CYP2J2 (0.51) CYP2J2HRH1KCNH2LMNACNR1
SCHEMBL9874170 0.86 MEN1 (0.49) CYP2J2MEN1KMT2AHRH1KCNH2
SCHEMBL9874087 0.86 CYP2J2 (0.51) CYP2J2MEN1KMT2AHRH1KCNH2
SCHEMBL9872254 0.85 CYP2J2 (0.46) CYP2J2HRH1KCNH2LMNACNR1
SCHEMBL9874649 0.84 CYP2J2 (0.54) CYP2J2MEN1KMT2AHRH1KCNH2
SCHEMBL9873919 0.84 CYP2J2 (0.61) CYP2J2HRH1KCNH2LMNACNR1
SCHEMBL9871858 0.84 CYP2J2 (0.58) CYP2J2HRH1KCNH2LMNACNR1
SCHEMBL9874464 0.84 CYP2J2 (0.45) CYP2J2HRH1KCNH2LMNACNR1

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