SCHEMBL4772657

SCHEMBL4772657

COC1CCC(C#N)(N2CCC(NC(=O)O)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.37
EPHX2 P34913 3/20 0.34
DPP4 P27487 2/20 0.33
DPP8 Q6V1X1 2/20 0.33
DPP9 Q86TI2 2/20 0.33
CTSK P43235 2/20 0.31
USP30 Q70CQ3 2/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL10203495 0.84 CTSK (0.51) CTSK
SCHEMBL607715 0.81 CHRM2 (0.43) EPHX2POLB
SCHEMBL14910984 0.75
SCHEMBL3229882 0.71 EPHX2 (0.51) EPHX2POLB
SCHEMBL3229891 0.71 EPHX2 (0.51) EPHX2POLB
SCHEMBL3539009 0.71 EPHX2 (0.51) EPHX2POLB
SCHEMBL4715595 0.70 PDE7A (0.43) EPHX2POLB
SCHEMBL25389501 0.69 CCR5 (0.44) EPHX2POLB
SCHEMBL13697319 0.66 CYP2C9 (0.41)
SCHEMBL3583500 0.65 CHRM4 (0.47) EPHX2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004182-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-12-24 EP disclosed
WO-2007107565-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-09-27 WO disclosed