SCHEMBL4765068

SCHEMBL4765068

CC(C)(C)C1CCCCN1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.38
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 2/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DPP8 Q6V1X1 3/20 0.35
DPP9 Q86TI2 3/20 0.35
FAP Q12884 2/20 0.35
DPP7 Q9UHL4 2/20 0.35
FKBP1A P62942 4/20 0.35
PITRM1 Q5JRX3 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 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
SCHEMBL5808993 0.94 DPP4 (0.42) DPP4LMNACYP2C19HSD17B10DPP8
SCHEMBL1592790 0.82 LMNA (0.40) DPP4GAAHPGDLMNACYP2C19
SCHEMBL9917272 0.82 CHRM2 (0.42) GAAHPGDLMNACHRM2CHRM4
SCHEMBL4796723 0.81 KMT2A (0.33) DPP4DPP8DPP9DPP7CA12
SCHEMBL16794429 0.81 NAMPT (0.36) DPP4GAAHPGDDPP8DPP9
SCHEMBL21340915 0.80 DPP4 (0.42) DPP4DPP8DPP9FAPDPP7
SCHEMBL23046549 0.79 LMNA (0.41) DPP4GAAHPGDLMNACYP2C19
SCHEMBL16253007 0.79 GAA (0.48) GAAHPGDLMNA
SCHEMBL16253016 0.78 ALDH1A1 (0.43) HPGDCA2
SCHEMBL21340912 0.78 DPP4 (0.36) DPP4GAAHPGDDPP8DPP9

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-1931667-A1 PYRIDO-PYRIDIMIDINE DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS Ranbaxy Laboratories Limited (IN) 2008-06-18 EP claimed
WO-2007036791-A1 PYRIDO-PYRIDIMIDINE DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (US) 2007-04-05 WO claimed