SCHEMBL4758264

SCHEMBL4758264

CCOC(=O)CC(=O)NNC(=O)c1cc(Cl)cc(N2CCC(O)C2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WDR91 A4D1P6 3/20 0.40
DDR1 Q08345 3/20 0.38
NOTUM Q6P988 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
HPGD P15428 1/20 0.36
MGLL Q99685 1/20 0.35
KDM4E B2RXH2 1/20 0.35
P2RY12 Q9H244 2/20 0.35

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
SCHEMBL4757779 0.83 HDAC3 (0.44) DDR1SMN1; SMN2MEN1KMT2AMGLL
SCHEMBL4758236 0.82 DDR1 (0.34) DDR1NOTUMHRH3KDM4E
SCHEMBL4755128 0.82 MAPK14 (0.44) DDR1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL4758284 0.75 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL28818662 0.69 HDAC1 (0.42) SMN1; SMN2KDM4EP2RY12
SCHEMBL2942517 0.69 NOTUM (0.51) WDR91NOTUMCHRM1MGLL
SCHEMBL3100227 0.69 ATM (0.55) NOTUMSMN1; SMN2
SCHEMBL4755723 0.68 CSF1R (0.48) DDR1KDM4E
SCHEMBL3508055 0.68 HSD17B10 (0.44) WDR91NOTUMCHRM5CHRM1HPGD
SCHEMBL382520 0.67 TDP1 (0.54) SMN1; SMN2MEN1KMT2AHPGD

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