SCHEMBL4756997

SCHEMBL4756997

CCOC(=O)c1cc(Cl)cc(N2CCN(C)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPK10 P53779 1/20 0.48
CYP2C9 P11712 1/20 0.47
WDR5 P61964 1/20 0.47
MAPK1 P28482 3/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 3/20 0.45
HTT P42858 2/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
OPRM1 P35372 1/20 0.43
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL4755106 0.85 PIK3CA (0.55) MEN1KMT2AMAPK1LMNAMAPT
SCHEMBL8698788 0.81 PLOD2 (0.56) MEN1KMT2ACYP2C9MAPK1LMNA
SCHEMBL4757779 0.80 HDAC3 (0.44) MEN1KMT2AWDR5MAPK1LMNA
SCHEMBL5324137 0.80 CYP2C9 (0.62) MEN1KMT2ACYP2C9LMNAMAPT
SCHEMBL1482084 0.79 BCL2A1 (0.44) MEN1KMT2ALMNAMAPTHTT
SCHEMBL545939 0.79 TPMT (0.52) MEN1KMT2ALMNAALDH1A1
SCHEMBL7589274 0.78 CA12 (0.62) MEN1KMT2ACYP2C9LMNACA12
SCHEMBL2662880 0.78 CA12 (0.62) MEN1KMT2ACYP2C9LMNACA12
Hydrochloric Acid SCHEMBL2327804 0.78 BCL2A1 (0.43) MEN1KMT2ALMNAMAPTHTT
SCHEMBL4755079 0.77 DDR1 (0.47) KMT2ALMNAMAPTALDH1A1

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-2009000819-A1 5-PHENYL-1,3,4-OXADIAZOL-2-YL-ACETYL-4-PIPERIDINYL DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-12-31 WO disclosed