SCHEMBL9873292

SCHEMBL9873292

CN(C(=O)CCN1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2J2 P51589 7/20 0.52
HRH1 P35367 2/20 0.47
LMNA P02545 1/20 0.47
CNR1 P21554 1/20 0.47
APEX1 P27695 1/20 0.47
PDE4A P27815 1/20 0.47
HTR2A P28223 1/20 0.47
DRD3 P35462 1/20 0.47
HTR2B P41595 1/20 0.47
BLM P54132 1/20 0.47
KCNH2 Q12809 1/20 0.47
PDE3A Q14432 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2B6 P20813 1/20 0.47

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
Hydrochloric Acid SCHEMBL9873269 0.92 CYP2J2 (0.56) CYP2J2HRH1LMNACNR1APEX1
SCHEMBL9873324 0.89 CYP2J2 (0.51) CYP2J2HRH1KCNH2
SCHEMBL9873350 0.88 CYP2J2 (0.48) CYP2J2HRH1LMNACNR1APEX1
SCHEMBL9874355 0.84 CYP2J2 (0.61) CYP2J2HRH1LMNACNR1APEX1
SCHEMBL9872538 0.83 CYP2J2 (0.58) CYP2J2HRH1LMNACNR1APEX1
SCHEMBL9873332 0.82 CYP2J2 (0.57) CYP2J2HRH1LMNACNR1APEX1
SCHEMBL9874468 0.81 CYP2J2 (0.54) CYP2J2DRD3KCNH2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL9871226 0.81 CYP2J2 (0.55) CYP2J2HRH1LMNADRD3KCNH2
Hydrochloric Acid SCHEMBL9871228 0.81 CYP2J2 (0.55) CYP2J2HRH1LMNADRD3KCNH2
SCHEMBL9872366 0.80 CYP2J2 (0.51) CYP2J2HRH1LMNACNR1APEX1

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