SCHEMBL20072009

SCHEMBL20072009

CN(C)C(=O)c1ccc(N2CCC(CCCN(C)C(=O)[C@]3(C)CCCO3)CC2)nc1Cl

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.38
TPH1 P17752 3/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
CNR2 P34972 1/20 0.30
ENPP2 Q13822 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ACHE P22303 1/20 0.30
P2RX7 Q99572 2/20 0.30

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
SCHEMBL20072201 0.88 GPR119 (0.37) GPR119P2RX7
SCHEMBL21644279 0.88 GPR119 (0.37) GPR119ACACBACACAMEN1KMT2A
SCHEMBL21644270 0.88 GPR119 (0.37) GPR119P2RX7
SCHEMBL20072202 0.88 GPR119 (0.37) GPR119P2RX7
SCHEMBL20072010 0.88 GPR119 (0.37) GPR119ACACBACACAMEN1KMT2A
SCHEMBL20072011 0.88 GPR119 (0.37) GPR119ACACBACACAMEN1KMT2A
SCHEMBL21644308 0.87 GPR119 (0.36) GPR119ACACBACACAMEN1KMT2A
SCHEMBL20072283 0.87 GPR119 (0.36) GPR119ACACBACACAMEN1KMT2A
SCHEMBL20071908 0.87 GPR119 (0.36) GPR119ACACBACACAMEN1KMT2A
SCHEMBL21644252 0.86 GPR119 (0.35) GPR119ACACBACACAMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018068297-A1 N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR β AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2018-04-19 WO disclosed