SCHEMBL15539747

SCHEMBL15539747

CC(C)(F)CN1CCC(COc2ccc(-c3ccc(C(=O)NC(=O)[C@@H]4CCCN4)nc3)cc2C#N)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XDH P47989 6/20 0.40
CTSS P25774 1/20 0.39
DYRK1A Q13627 2/20 0.38
WNT1 P04628 1/20 0.38
IKBKE Q14164 7/20 0.38
TBK1 Q9UHD2 7/20 0.38
CTSK P43235 1/20 0.38
CTSC P53634 1/20 0.38
KCNH2 Q12809 1/20 0.38
CNR2 P34972 1/20 0.36

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
SCHEMBL15539377 0.91 HTR2A (0.41) CTSSDYRK1AWNT1
SCHEMBL15539544 0.86 XDH (0.36) XDHDYRK1AWNT1IKBKETBK1
SCHEMBL15539794 0.84 HTR2A (0.37) XDHCTSSDYRK1AWNT1IKBKE
SCHEMBL15537941 0.83 XDH (0.44) XDHDYRK1AWNT1IKBKETBK1
SCHEMBL15539155 0.83 XDH (0.50) XDHIKBKETBK1
SCHEMBL15539086 0.83 DYRK1A (0.38) CTSSDYRK1AWNT1KCNH2
SCHEMBL15538251 0.82 CTSK (0.38) XDHDYRK1AWNT1IKBKETBK1
SCHEMBL20053637 0.82 XDH (0.45) XDHCTSSIKBKETBK1
SCHEMBL15538267 0.80 DYRK1A (0.37) CTSSDYRK1AWNT1
SCHEMBL15539246 0.79 DYRK1A (0.39) CTSSDYRK1AWNT1

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-2858986-A1 PIPERIDINE DERIVATIVES FOR GPR119 AGONIST Chong Kun Dang Pharmaceutical Corp. (KR) 2015-04-15 EP claimed
WO-2013187646-A1 PIPERIDINE DERIVATIVES FOR GPR119 AGONIST CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2013-12-19 WO claimed
EP-2858986-A1 PIPERIDINE DERIVATIVES FOR GPR119 AGONIST Chong Kun Dang Pharmaceutical Corp. (KR) 2015-04-15 EP disclosed
WO-2013187646-A1 PIPERIDINE DERIVATIVES FOR GPR119 AGONIST CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2013-12-19 WO disclosed