SCHEMBL4753485

SCHEMBL4753485

COc1cccc(OCCC2CN(C(=O)O)CCN2)c1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
REN P00797 6/20 0.38
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CA9 Q16790 2/20 0.35
CCR3 P51677 1/20 0.35
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
SCN9A Q15858 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
ADRB1 P08588 1/20 0.34

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
SCHEMBL4292768 1.00 MEN1 (0.38) MEN1KMT2ALMNARENCA1
SCHEMBL4282069 0.89 ALDH1A1 (0.39) MEN1KMT2ALMNARENSCN9A
SCHEMBL4752929 0.89 CCR3 (0.39) LMNARENCA1CA2CA4
SCHEMBL4290277 0.89 CCR3 (0.39) LMNARENCA1CA2CA4
Hydrochloric Acid SCHEMBL4289621 0.89 LMNA (0.48) MEN1KMT2ALMNACHRNB4CHRNA3
SCHEMBL13705334 0.86 PDE4B (0.43) MEN1KMT2A
Hydrochloric Acid SCHEMBL4290963 0.84 KDM4E (0.43) MEN1KMT2AREN
Hydrochloric Acid SCHEMBL4290984 0.83 SCN9A (0.38) MEN1KMT2ARENCCR3SCN9A
SCHEMBL4290889 0.83 KDM4E (0.43) MEN1KMT2ARENCA1CA2
Hydrochloric Acid SCHEMBL4295442 0.83 KDM4E (0.47) MEN1KMT2ALMNA

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-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed