SCHEMBL30001428

SCHEMBL30001428

CCCCOC(=O)Cc1ccc(OCCCC2CCN(c3ncc(Cl)cn3)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.52
KCNH2 Q12809 10/20 0.52
CHRM2 P08172 3/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 1/20 0.38
TLR7 Q9NYK1 1/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL27086477 0.86 GPR119 (0.57) GPR119KCNH2CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL27086736 0.85 GPR119 (0.56) GPR119KCNH2CHRM2CHRM1CHRM3
SCHEMBL1922724 0.81 GPR119 (0.56) GPR119KCNH2CHRM2CHRM1CHRM3
SCHEMBL1923279 0.78 GPR119 (0.59) GPR119KCNH2CHRM2CHRM1CHRM3
SCHEMBL24437655 0.76 GPR119 (0.58) GPR119KCNH2PPARGPPARD
SCHEMBL27086549 0.75 GPR119 (0.48) GPR119KCNH2CHRM2CHRM1CHRM3
SCHEMBL30002160 0.75 GPR119 (0.48) GPR119KCNH2CHRM2CHRM1CHRM3
SCHEMBL1295102 0.75 GPR119 (0.47) GPR119KCNH2CHRM2CHRM1CHRM3
SCHEMBL30001897 0.74 GPR119 (0.55) GPR119KCNH2CHRM2CHRM1CHRM3
SCHEMBL1296739 0.73 GPR119 (0.49) GPR119KCNH2CHRM2CHRM1CHRM3

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-2022216709-A1 GPR119 AGONISTS KALLYOPE, INC. (US) 2022-10-13 WO disclosed