SCHEMBL27736889

SCHEMBL27736889

OCc1cccc(-n2ccnc2C2CCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICMT O60725 2/20 0.49
HPGD P15428 1/20 0.40
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
ALOX5 P09917 1/20 0.38
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
CDK1 P06493 1/20 0.37
SRC P12931 1/20 0.37
ABL2 P42684 1/20 0.37
CFTR P13569 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PIK3CB P42338 1/20 0.36
PRKDC P78527 1/20 0.36
ATM Q13315 1/20 0.36
ATR Q13535 1/20 0.36
ATRIP Q8WXE1 1/20 0.36
IGF1R P08069 3/20 0.36
KCNH2 Q12809 1/20 0.35

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
SCHEMBL27736893 0.78 ICMT (0.46) ICMTATMRAB9A
SCHEMBL11264432 0.77 ICMT (0.45) ICMTATMRAB9A
SCHEMBL20817635 0.76 ICMT (0.54) ICMTHPGDIGF1RKCNH2
SCHEMBL30797720 0.76 ICMT (0.54) ICMTHPGDIGF1RKCNH2
SCHEMBL8695867 0.76 CYP3A4 (0.54) ICMTABL1EGFRCDK1SRC
SCHEMBL20834416 0.73 ICMT (0.69) ICMTDRD2DRD3CYP11B1CYP11B2
SCHEMBL28019125 0.72 KCNH2 (0.55) ICMTCYP11B2KCNH2
SCHEMBL28019124 0.71 KCNH2 (0.54) ICMTCYP11B2KCNH2
SCHEMBL20817526 0.70 ICMT (0.59) ICMTKCNH2
SCHEMBL20817524 0.70 ICMT (0.59) ICMTKCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101410114-B A3 adenosine receptor allosteric modulators US GOV HEALTH & HUMAN SERV (US) 2012-07-04 CN claimed
CN-101410114-A A3 adenosine receptor allosteric modulators US GOV HEALTH & HUMAN SERV (US) 2009-04-15 CN claimed
CN-101410114-B A3 adenosine receptor allosteric modulators US GOV HEALTH & HUMAN SERV (US) 2012-07-04 CN disclosed
CN-101410114-A A3 adenosine receptor allosteric modulators US GOV HEALTH & HUMAN SERV (US) 2009-04-15 CN disclosed