SCHEMBL8097461

SCHEMBL8097461

COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC2CCC(C1)N2Cc1cc(F)c(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RORC P51449 2/20 0.35
SCN9A Q15858 6/20 0.33
CACNA1B Q00975 2/20 0.33
GPR119 Q8TDV5 4/20 0.33
AAK1 Q2M2I8 1/20 0.32

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
SCHEMBL13078576 0.85 DPP4 (0.37) DPP4SCN9ACACNA1BAAK1
SCHEMBL3748312 0.84 DPP4 (0.42) DPP4KMT2AL3MBTL1RORCSCN9A
SCHEMBL3747829 0.83 DPP4 (0.43) DPP4KMT2AL3MBTL1RORCSCN9A
SCHEMBL13078880 0.79 ELANE (0.34) KMT2AL3MBTL1SCN9ACACNA1B
SCHEMBL13078574 0.78 ALDH1A1 (0.35) DPP4RORC
SCHEMBL7849129 0.77 CYP2D6 (0.38) KMT2AL3MBTL1CACNA1B
SCHEMBL10060683 0.77 CYP2D6 (0.38) KMT2AL3MBTL1CACNA1B
SCHEMBL13078813 0.76 CTSK (0.34) KMT2ACACNA1B
SCHEMBL8092352 0.75 MGLL (0.37) CACNA1BGPR119AAK1
SCHEMBL13078578 0.75 CACNA1B (0.37) KMT2AL3MBTL1CACNA1B

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-2009037719-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2009-03-26 WO disclosed