SCHEMBL9686935

SCHEMBL9686935

COc1cccc(CCNC(=O)c2[nH]c(=O)c(CC(C)C)[n+]([O-])c2OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
RAB9A P51151 1/20 0.45
SPR P35270 1/20 0.42
PARP1 P09874 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
TOP2A P11388 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41

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
SCHEMBL9164713 0.91 MMP13 (0.48) MAPTALDH1A1
SCHEMBL9280239 0.83 RXFP1 (0.45) RAB9ATP53MAPTALDH1A1
SCHEMBL9688086 0.81 HSD17B2 (0.46) ROCK2ROCK1ALDH1A1POLB
SCHEMBL9687941 0.78 EZH2 (0.40) ROCK2
SCHEMBL9688033 0.77 HTT (0.49) RAB9ATP53ALDH1A1POLB
SCHEMBL9687454 0.76 MEN1 (0.39) MAPTALDH1A1
SCHEMBL9687392 0.75 CYP1A2 (0.46) TP53MAPTALDH1A1POLB
SCHEMBL9687409 0.73 LMNA (0.43) MAPTROCK2ROCK1
SCHEMBL9278822 0.73 RAB9A (0.46) RAB9ATP53MAPTALDH1A1POLB
SCHEMBL9687391 0.73 HPGD (0.39) TP53MAPTROCK2ROCK1ALDH1A1

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
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed