SCHEMBL4588673

SCHEMBL4588673

C[C@@H]1CN(c2cc[nH]c(=O)c2)CCN1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
BCL2A1 Q16548 2/20 0.44
KHK P50053 2/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
MAPK1 P28482 1/20 0.37
GHSR Q92847 2/20 0.36
HRH4 Q9H3N8 1/20 0.36
HSD11B1 P28845 1/20 0.35
KIT P10721 1/20 0.35
HTR2C P28335 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
SCHEMBL4588676 1.00 MAPT (0.47) MAPTBCL2A1KHKALDH1A1LMNA
SCHEMBL22796057 0.78 JAK3 (0.47) MAPTALDH1A1HRH3
SCHEMBL20157184 0.78 MAPT (0.46) MAPTBCL2A1KHKALDH1A1LMNA
SCHEMBL23759875 0.77 ADRB1 (0.51) ALDH1A1HTR2C
SCHEMBL20157447 0.77 MAPT (0.45) MAPTBCL2A1KHKHRH4
SCHEMBL31463645 0.77 ATM (0.45) HRH3
SCHEMBL12892626 0.74 HTR3E (0.61) MAPTBCL2A1KHKALDH1A1LMNA
SCHEMBL2245201 0.74 HTR3E (0.61) MAPTBCL2A1KHKALDH1A1LMNA
SCHEMBL4240000 0.74 HTR3E (0.61) MAPTBCL2A1KHKALDH1A1LMNA
SCHEMBL30208090 0.74 HTR3E (0.61) MAPTBCL2A1KHKALDH1A1LMNA

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
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed