SCHEMBL4035552

SCHEMBL4035552

CC(=O)N1CCN(S(=O)(=O)c2ccc3ncccc3c2)C(C(=O)NCc2ccc(Cl)cc2Cl)C1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.51
EPHX2 P34913 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL4036678 0.91 CA12 (0.47) P2RX7EPHX2
SCHEMBL4040076 0.90 EPHX2 (0.48) P2RX7EPHX2
SCHEMBL4032375 0.89 CA12 (0.46) P2RX7EPHX2
SCHEMBL4033312 0.89 P2RX7 (0.45) P2RX7EPHX2L3MBTL1
SCHEMBL4033086 0.88 MMP1 (0.50) P2RX7EPHX2
SCHEMBL4038771 0.88 P2RX7 (0.45) P2RX7EPHX2L3MBTL1
SCHEMBL4038132 0.87 MMP1 (0.44) P2RX7
SCHEMBL4035551 0.85 ALDH1A1 (0.56) P2RX7
SCHEMBL4034716 0.83 P2RX7 (0.42) P2RX7EPHX2
SCHEMBL2441657 0.81 P2RX7 (0.52) P2RX7EPHX2L3MBTL1

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
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP claimed