SCHEMBL15539741

SCHEMBL15539741

CC(C)(C)N1CCC(COc2ccc(-c3ccc(S(C)(=O)=O)cc3)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.43
PTGS2 P35354 6/20 0.43
PTGS1 P23219 4/20 0.43
GPR119 Q8TDV5 8/20 0.42
GPR183 P32249 1/20 0.42
ATM Q13315 2/20 0.40
BRD4 O60885 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39

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
SCHEMBL15538404 0.86 PTGS2 (0.44) KCNH2PTGS2PTGS1GPR119GPR183
SCHEMBL15538841 0.86 GPR119 (0.41) KCNH2PTGS2PTGS1GPR119GPR183
SCHEMBL15538366 0.86 GPR119 (0.49) PTGS2PTGS1GPR119GPR183
SCHEMBL3986213 0.84 PTGS1 (0.43) KCNH2PTGS2PTGS1GPR119GPR183
SCHEMBL387584 0.84 GPR119 (0.60) GPR119
SCHEMBL3986348 0.84 LIPE (0.44) GPR119
SCHEMBL3982941 0.82 KDM1A (0.48) KCNH2PTGS2PTGS1
SCHEMBL3984254 0.82 ACHE (0.57) PTGS2PTGS1
SCHEMBL16803720 0.82 PTGS2 (0.43) KCNH2PTGS2PTGS1GPR119GPR183
Hydrochloric Acid SCHEMBL387125 0.81 KDM1A (0.47) KCNH2PTGS2PTGS1

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