SCHEMBL20103153

SCHEMBL20103153

O=C1N(c2ccc(F)cc2Cl)CCCC12CCCCC2

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 15/20 0.45
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
CASP6 P55212 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR1A P08908 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
HSD11B1 P28845 1/20 0.37

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
SCHEMBL20205261 0.94 P2RX7 (0.45) P2RX7GAAMEN1CASP6KMT2A
SCHEMBL18208556 0.89 P2RX7 (0.42) P2RX7HSD11B1
SCHEMBL18208710 0.89 P2RX7 (0.42) P2RX7HSD11B1
SCHEMBL18208494 0.82 P2RX7 (0.45) P2RX7GAAMEN1CASP6KMT2A
SCHEMBL18209085 0.82 KMT2A (0.42) P2RX7GAAMEN1CASP6KMT2A
SCHEMBL18208519 0.80 P2RX7 (0.44) P2RX7
SCHEMBL18208520 0.80 P2RX7 (0.44) P2RX7
SCHEMBL18208191 0.80 P2RX7 (0.44) P2RX7HSD11B1
SCHEMBL18208912 0.79 P2RX7 (0.35) P2RX7
SCHEMBL18208621 0.78 NPC1 (0.49) P2RX7GAAMEN1CASP6KMT2A

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-2018078005-A1 AMIDO-SUBSTITUTED AZASPIRO DERIVATIVES AS TANKYRASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-03 WO disclosed