SCHEMBL20118397

SCHEMBL20118397

CCC1=NN(c2ccc(F)cc2Cl)C(=O)C1(CC)CC

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.35
PHOSPHO1 Q8TCT1 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
CASP6 P55212 1/20 0.34
KMT2A Q03164 1/20 0.34
MPI P34949 1/20 0.34
PGR P06401 1/20 0.33
PARK7 Q99497 1/20 0.33
NOX4 Q9NPH5 1/20 0.33
ELANE P08246 1/20 0.33

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
SCHEMBL20118185 0.81 OPRM1 (0.35) P2RX7MEN1GAACASP6KMT2A
SCHEMBL20118172 0.77 P2RX7 (0.35) P2RX7
SCHEMBL20118169 0.77 P2RX7 (0.35) P2RX7
SCHEMBL20118401 0.76 PSEN1 (0.37) P2RX7MEN1GAACASP6KMT2A
SCHEMBL20118395 0.72 KMT2A (0.39) P2RX7MEN1GAACASP6KMT2A
SCHEMBL20118049 0.68 CASP6 (0.36) P2RX7MEN1GAACASP6KMT2A
SCHEMBL20118223 0.68 GRM5 (0.33) P2RX7
SCHEMBL20118389 0.68 GRM5 (0.33) P2RX7
SCHEMBL20118222 0.68 OPRL1 (0.34) P2RX7MEN1GAACASP6KMT2A
SCHEMBL20118221 0.68 MAPK13 (0.38) P2RX7MEN1GAACASP6KMT2A

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-2018078009-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-03 WO disclosed