SCHEMBL15538893

SCHEMBL15538893

CC(C)(F)CN1CCC(COc2cnc(-c3ccc(C(=O)NC(=O)[C@@H]4CCCCN4)cc3)cn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.37
DYRK1A Q13627 7/20 0.37
GSK3B P49841 4/20 0.36
HPGDS O60760 4/20 0.36
MTOR P42345 2/20 0.36
WNT1 P04628 2/20 0.34
GPR119 Q8TDV5 2/20 0.34
SCN9A Q15858 1/20 0.34
SCN3A Q9NY46 1/20 0.34
SCN5A Q14524 1/20 0.34
GABRA5 P31644 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
SCHEMBL15539973 1.00 LIPE (0.37) LIPEDYRK1AGSK3BHPGDSMTOR
SCHEMBL15539677 0.98 DYRK1A (0.37) LIPEDYRK1AGSK3BHPGDSMTOR
SCHEMBL15538527 0.91 LIPE (0.39) LIPEDYRK1AGSK3BHPGDSWNT1
SCHEMBL15538832 0.90 HPGDS (0.37) LIPEHPGDSMTORSCN9ASCN3A
SCHEMBL15539956 0.89 GPR119 (0.45) DYRK1AGSK3BHPGDSGPR119
SCHEMBL15538345 0.89 GPR119 (0.35) LIPEDYRK1AGSK3BHPGDSWNT1
SCHEMBL15539246 0.88 DYRK1A (0.39) LIPEDYRK1AGSK3BHPGDSWNT1
SCHEMBL15537815 0.87 GPR119 (0.45) DYRK1AGSK3BHPGDSGPR119
SCHEMBL15538470 0.87 SCN9A (0.36) DYRK1AGSK3BHPGDSWNT1GPR119
SCHEMBL15538132 0.87 GPR119 (0.39) DYRK1AGSK3BHPGDSWNT1GPR119

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 2 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 disclosed
WO-2013187646-A1 PIPERIDINE DERIVATIVES FOR GPR119 AGONIST CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2013-12-19 WO disclosed