SCHEMBL18902111

SCHEMBL18902111

C[C@H](O)Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.48
DPP4 P27487 1/20 0.42
KIT P10721 2/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RET P07949 2/20 0.41
GRIA1 P42261 1/20 0.41
ALK Q9UM73 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP3A5 P20815 1/20 0.40
ACHE P22303 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40

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
SCHEMBL9999353 0.90 GPR119 (0.46) GPR119DPP4KITCKS1BSKP1
SCHEMBL12074313 0.90 GPR119 (0.46) GPR119DPP4KITCKS1BSKP1
SCHEMBL12074543 0.90 GPR119 (0.46) GPR119DPP4KITCKS1BSKP1
SCHEMBL9999006 0.83 GPR119 (0.48) GPR119KITCKS1BSKP1SKP2
SCHEMBL30893588 0.82 GPR119 (0.52) GPR119KITCKS1BSKP1SKP2
SCHEMBL2420435 0.82 GPR119 (0.52) GPR119KITCKS1BSKP1SKP2
SCHEMBL16210187 0.82 TRPV1 (0.53) GPR119KITCKS1BSKP1SKP2
SCHEMBL24125815 0.81 GPR119 (0.51) GPR119KITCKS1BSKP1SKP2
SCHEMBL21551198 0.81 GPR119 (0.54) GPR119KITCKS1BSKP1SKP2
SCHEMBL30931849 0.81 GPR119 (0.54) GPR119KITCKS1BSKP1SKP2

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-3173411-B1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA LP (US) 2018-05-09 EP disclosed
EP-3173411-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF Purdue Pharma L.P. (US) 2017-05-31 EP disclosed