SCHEMBL1738834

SCHEMBL1738834

CCC(O)(CC)c1ccc(N2CCC(Cc3ccccc3N3CCN(C)CC3)[13C]2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.43
FPR2 P25090 1/20 0.39
HTR2C P28335 4/20 0.37
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
HTR1A P08908 1/20 0.37
DRD4 P21917 1/20 0.37
HTR2A P28223 1/20 0.37
BRD9 Q9H8M2 4/20 0.37
BRPF1 P55201 2/20 0.37
BRD4 O60885 1/20 0.37
NCF1 P14598 1/20 0.37
BRD7 Q9NPI1 1/20 0.35
EGFR P00533 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL1738796 1.00 ROCK2 (0.43) ROCK2FPR2HTR2CDRD2DRD3
SCHEMBL1738546 1.00 ROCK2 (0.43) ROCK2FPR2HTR2CDRD2DRD3
SCHEMBL1738549 1.00 ROCK2 (0.43) ROCK2FPR2HTR2CDRD2DRD3
SCHEMBL1737760 0.90 ROCK2 (0.41) ROCK2FPR2HTR2CDRD2DRD3
SCHEMBL1737717 0.90 ROCK2 (0.41) ROCK2FPR2HTR2CDRD2DRD3
SCHEMBL1737713 0.90 ROCK2 (0.41) ROCK2FPR2HTR2CDRD2DRD3
SCHEMBL1738622 0.89 HTR1A (0.45) ROCK2HTR2CDRD2DRD3HTR1A
SCHEMBL5160777 0.88 FPR2 (0.46) ROCK2FPR2HTR2CDRD2DRD3
SCHEMBL5158579 0.88 FPR2 (0.46) ROCK2FPR2HTR2CDRD2DRD3
SCHEMBL5158577 0.88 FPR2 (0.46) ROCK2FPR2HTR2CDRD2DRD3

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
EP-1727794-B1 NOVEL BENZYL(IDENE)-LACTAM DERIVATIVES PFIZER PROD INC (US) 2011-11-16 EP disclosed
US-20110263484-A1 SINGLE CHAIN FC TYPE III INTERFERONS AND METHODS OF USING SAME ZYMOGENETICS, INC. 2011-10-27 US disclosed
EP-1727794-A1 NOVEL BENZYL(IDENE)-LACTAM DERIVATIVES Pfizer Products Incorporated (US) 2006-12-06 EP disclosed
WO-2005090300-A1 NOVEL BENZYL(IDENE)-LACTAM DERIVATIVES PFIZER PRODUCTS INC. (US) 2005-09-29 WO disclosed