SCHEMBL13875677

SCHEMBL13875677

CCn1c(=O)n(CC(=O)O)c2nc(Cl)nc(N3CCNCC3)c21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 3/20 0.43
LMNA P02545 1/20 0.37
CYP2C9 P11712 1/20 0.37
ATP6V1B2 P21281 1/20 0.37
TBXA2R P21731 1/20 0.37
EDNRA P25101 1/20 0.37
TARBP2 Q15633 1/20 0.37
HTR2C P28335 3/20 0.35
DPP4 P27487 4/20 0.35
PIM1 P11309 1/20 0.34
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ITGA2B P08514 1/20 0.32
HPGD P15428 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
SCHEMBL13876123 0.90 P2RX3 (0.42) P2RX3LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL13866884 0.86 DPP4 (0.45) P2RX3DPP4
SCHEMBL13876140 0.83 DPP4 (0.52) P2RX3DPP4PIM1
SCHEMBL13875834 0.82 DPP4 (0.46) LMNACYP2C9HTR2CDPP4PIM1
SCHEMBL13875679 0.82 DPP4 (0.35) P2RX3LMNACYP2C9HTR2CDPP4
Trifluoroacetic Acid SCHEMBL3877608 0.82 DPP4 (0.41) P2RX3DPP4
SCHEMBL13876136 0.81 DPP4 (0.48) P2RX3LMNACYP2C9HTR2CDPP4
Trifluoroacetic Acid SCHEMBL5760849 0.80 LMNA (0.35) P2RX3LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL13875681 0.78 DPP4 (0.42) P2RX3HTR2CDPP4PIM1ALDH1A1
SCHEMBL13866888 0.77 DPP4 (0.45) P2RX3DPP4L3MBTL1

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
US-7524847-B2 Fused 1,3-dihydro-imidazole ring compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-04-28 US disclosed