SCHEMBL1738368

SCHEMBL1738368

CN1CCN(c2ccccc2C[C@@H]2CCCN(c3ccc(C4(O)CCCC4)cc3)C2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.38
FPR2 P25090 1/20 0.36
ROCK2 O75116 2/20 0.35
HTR7 P34969 2/20 0.35
BRD9 Q9H8M2 3/20 0.34
BRPF1 P55201 2/20 0.34
LMNA P02545 2/20 0.34
BRD4 O60885 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTR1A P08908 2/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
DRD3 P35462 1/20 0.34
SIGMAR1 Q99720 7/20 0.34
EGFR P00533 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL1738815 1.00 NCF1 (0.38) NCF1FPR2ROCK2HTR7BRD9
SCHEMBL1737661 1.00 NCF1 (0.38) NCF1FPR2ROCK2HTR7BRD9
SCHEMBL1737818 0.95 ROCK2 (0.39) NCF1FPR2ROCK2HTR7BRD9
SCHEMBL1737234 0.95 ROCK2 (0.39) NCF1FPR2ROCK2HTR7BRD9
SCHEMBL1738621 0.95 ROCK2 (0.39) NCF1FPR2ROCK2HTR7BRD9
SCHEMBL1737745 0.94 ROCK2 (0.39) NCF1FPR2ROCK2HTR7BRD9
SCHEMBL1737744 0.94 ROCK2 (0.39) NCF1FPR2ROCK2HTR7BRD9
SCHEMBL1738393 0.94 ROCK2 (0.39) NCF1FPR2ROCK2HTR7BRD9
SCHEMBL1738835 0.93 ROCK2 (0.39) NCF1FPR2ROCK2HTR7BRD9
SCHEMBL1738872 0.93 ROCK2 (0.39) NCF1FPR2ROCK2HTR7BRD9

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 3 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 claimed
US-20110263484-A1 SINGLE CHAIN FC TYPE III INTERFERONS AND METHODS OF USING SAME ZYMOGENETICS, INC. 2011-10-27 US claimed
US-7479559-B2 3-[-2-(Piperazin-1-yl)benzyl]pyrrolidin-2-one derivatives; antidepressants, anxiolytic agents; obsessive compulsive disorder, psychological disorders, phobias; 5-HT1 agonist or antagonists; side effect reduction, in particular cardiac QTc prolongation; hydrogenation PFIZER INC. (US) 2009-01-20 US claimed