SCHEMBL1740166

SCHEMBL1740166

CN1CCN(c2ccccc2C[C@H]2CCCN(c3ccc(C4(O)CCOCC4)cc3)C2=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.36
NCF1 P14598 1/20 0.35
KAT2B Q92831 1/20 0.35
SIGMAR1 Q99720 7/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HRH3 Q9Y5N1 3/20 0.33
KMT2A Q03164 2/20 0.33
ROCK2 O75116 2/20 0.33
EGFR P00533 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTR7 P34969 2/20 0.33
MEN1 O00255 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
SCHEMBL1738839 1.00 FPR2 (0.36) FPR2NCF1KAT2BSIGMAR1KDM4E
SCHEMBL1738667 1.00 FPR2 (0.36) FPR2NCF1KAT2BSIGMAR1KDM4E
SCHEMBL1738815 0.93 NCF1 (0.38) FPR2NCF1SIGMAR1ALDH1A1KMT2A
SCHEMBL1738368 0.93 NCF1 (0.38) FPR2NCF1SIGMAR1ALDH1A1KMT2A
SCHEMBL1737661 0.93 NCF1 (0.38) FPR2NCF1SIGMAR1ALDH1A1KMT2A
SCHEMBL1738835 0.88 ROCK2 (0.39) FPR2NCF1SIGMAR1KMT2AROCK2
SCHEMBL1737234 0.88 ROCK2 (0.39) FPR2NCF1SIGMAR1KMT2AROCK2
SCHEMBL1738621 0.88 ROCK2 (0.39) FPR2NCF1SIGMAR1KMT2AROCK2
SCHEMBL1737818 0.88 ROCK2 (0.39) FPR2NCF1SIGMAR1KMT2AROCK2
SCHEMBL1738872 0.88 ROCK2 (0.39) FPR2NCF1SIGMAR1KMT2AROCK2

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