SCHEMBL9873383

SCHEMBL9873383

Cc1ccc(C(O)(c2ccc(C)cc2)C2CCN(CCCCC(=O)N(C)C)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2J2 P51589 6/20 0.61
HRH1 P35367 8/20 0.58
KCNH2 Q12809 3/20 0.58
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
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
SCHEMBL9871725 0.99 CYP2J2 (0.60) CYP2J2HRH1KCNH2LMNACNR1
SCHEMBL9874469 0.96 CYP2J2 (0.65) CYP2J2HRH1KCNH2LMNACNR1
SCHEMBL9872366 0.90 CYP2J2 (0.51) CYP2J2HRH1KCNH2LMNACNR1
SCHEMBL9874544 0.90 CYP2J2 (0.51) CYP2J2HRH1KCNH2LMNACNR1
SCHEMBL9873578 0.89 CYP2J2 (0.62) CYP2J2HRH1KCNH2LMNACNR1
SCHEMBL9873499 0.89 CYP2J2 (0.50) CYP2J2HRH1KCNH2LMNACNR1
SCHEMBL9873298 0.89 CYP2J2 (0.50) CYP2J2HRH1KCNH2LMNACNR1
SCHEMBL9874390 0.88 CYP2J2 (0.61) CYP2J2HRH1KCNH2LMNACNR1
SCHEMBL9873597 0.88 CYP2J2 (0.63) CYP2J2HRH1KCNH2
SCHEMBL9874107 0.87 CYP2J2 (0.62) 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