SCHEMBL7676320

SCHEMBL7676320

Cc1cccc(CN2CCC(C#N)(NC(=O)C(C(N)=O)C3CCCCC3)C2)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.49
ACKR3 P25106 5/20 0.41
CHRM2 P08172 4/20 0.40
CHRM3 P20309 4/20 0.40
MCHR1 Q99705 1/20 0.40
CHRM1 P11229 2/20 0.39
DRD4 P21917 2/20 0.38

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
SCHEMBL5360428 0.85 CTSS (0.56) CTSSACKR3
SCHEMBL6109121 0.77 CTSS (0.64) CTSS
SCHEMBL6967206 0.76 CTSS (0.58) CTSS
SCHEMBL5360378 0.74 CTSS (0.54) CTSSACKR3
SCHEMBL5364812 0.73 CTSS (0.68) CTSS
SCHEMBL5361282 0.73 CTSS (0.54) CTSS
SCHEMBL7675072 0.72 CTSS (0.42) CTSS
SCHEMBL5366611 0.72 CTSS (0.57) CTSS
SCHEMBL5360425 0.72 CTSS (0.48) CTSSACKR3
SCHEMBL5372459 0.71 CTSS (0.56) CTSSMCHR1

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
US-6420364-B1 TREATING AUTOIMMUNE DISEASES,ALZHEIMER'S DISEASE, ATHEROSCLEROSIS, OSTEOPOROSIS, BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-07-16 US disclosed