SCHEMBL4715595

SCHEMBL4715595

COC1CCC(N2CCC(NC(=O)O)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.43
RIPK2 O43353 1/20 0.39
EPHX2 P34913 1/20 0.39
HRH3 Q9Y5N1 3/20 0.38
POLB P06746 2/20 0.37
HSD17B10 Q99714 1/20 0.37
SIGMAR1 Q99720 5/20 0.37
CHRM1 P11229 3/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ACKR3 P25106 1/20 0.34
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL22208127 0.86 POLB (0.46) PDE7AEPHX2HRH3POLBHSD17B10
SCHEMBL6119281 0.84 PDE7A (0.41) PDE7AEPHX2HRH3POLBSIGMAR1
SCHEMBL3020717 0.84 CHRM1 (0.40) HRH3POLBSIGMAR1CHRM1MEN1
SCHEMBL606752 0.84 CHRM1 (0.40) HRH3POLBSIGMAR1CHRM1MEN1
SCHEMBL3020178 0.84 CHRM1 (0.40) HRH3POLBSIGMAR1CHRM1MEN1
SCHEMBL25404533 0.84 PDE7A (0.41) PDE7AEPHX2HRH3POLBSIGMAR1
SCHEMBL3013245 0.83 HRH3 (0.40) HRH3POLBHSD17B10SIGMAR1CHRM1
SCHEMBL3013240 0.83 HRH3 (0.40) HRH3POLBHSD17B10SIGMAR1CHRM1
SCHEMBL3586086 0.83 HRH3 (0.40) HRH3POLBHSD17B10SIGMAR1CHRM1
SCHEMBL3229882 0.82 EPHX2 (0.51) EPHX2POLB

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 4 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
EP-1996189-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-12-03 EP disclosed
WO-2007107567-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-09-27 WO 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