SCHEMBL28068541

SCHEMBL28068541

COC(=O)C(Cl)c1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ACP3 P15309 1/20 0.42
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 2/20 0.40
HSD11B1 P28845 2/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CNR1 P21554 1/20 0.39
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
P2RX7 Q99572 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL269608 0.84 CNR2 (0.43) CNR2SMN1; SMN2ACP3HPGDLMNA
SCHEMBL8914226 0.82 CNR2 (0.46) CNR2SMN1; SMN2ACP3HPGDLMNA
SCHEMBL30474559 0.81 CNR2 (0.44) CNR2SMN1; SMN2ACP3HPGDLMNA
SCHEMBL21659215 0.81 CNR2 (0.44) CNR2SMN1; SMN2ACP3HPGDLMNA
SCHEMBL8233462 0.81 CNR2 (0.44) CNR2SMN1; SMN2ACP3HPGDLMNA
SCHEMBL14661312 0.80 HTT (0.46) SMN1; SMN2LMNAGAAKMT2AHTT
SCHEMBL27985674 0.80 ACP3 (0.50) CNR2ACP3HPGDLMNAGAA
SCHEMBL28327500 0.80 ACP3 (0.46) CNR2ACP3LMNAGAAHSD11B1
SCHEMBL8917002 0.79 ALDH1A1 (0.44) CNR2SMN1; SMN2ACP3HPGDLMNA
SCHEMBL908987 0.79 CNR2 (0.41) CNR2SMN1; SMN2ACP3HPGDKMT2A

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
CN-103687860-B As P2X7Heterocyclic amide derivatives of receptor antagonists 埃科特莱茵药品有限公司 2016-06-08 CN disclosed