SCHEMBL7233171

SCHEMBL7233171

Cc1ccc(N2CCN(c3ncccc3C(=O)NC(O)CCc3ccccc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 3/20 0.57
CTSS P25774 2/20 0.57
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KCNH2 Q12809 2/20 0.46
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 2/20 0.45
MEN1 O00255 1/20 0.45
CHIA Q9BZP6 1/20 0.45
KDM4E B2RXH2 3/20 0.45
POLB P06746 2/20 0.45
GAA P10253 1/20 0.45
ATM Q13315 1/20 0.45
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
UGCG Q16739 1/20 0.40

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
SCHEMBL7243628 0.93 CAPN1 (0.64) CAPN1CTSSTSHRHSD17B10MAPT
SCHEMBL7241988 0.90 CAPN1 (0.59) CAPN1CTSSTSHRHSD17B10MAPT
SCHEMBL7232927 0.90 CAPN1 (0.54) CAPN1CTSSTSHRHSD17B10MAPT
SCHEMBL7241206 0.88 CHIA (0.59) CAPN1CTSSTSHRHSD17B10MAPT
SCHEMBL7239763 0.87 HSD17B10 (0.56) CAPN1CTSSTSHRHSD17B10MAPT
SCHEMBL7235671 0.86 TSHR (0.52) CAPN1CTSSTSHRHSD17B10CHIA
SCHEMBL7242743 0.85 TSHR (0.54) CAPN1CTSSTSHRHSD17B10MAPT
SCHEMBL7243112 0.84 TSHR (0.55) CAPN1CTSSTSHRHSD17B10ALDH1A1
SCHEMBL7233164 0.83 CAPN1 (0.62) CAPN1CTSSTSHRHSD17B10MAPT
SCHEMBL7243742 0.82 TSHR (0.53) CAPN1CTSSTSHRHSD17B10KCNH2

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-6562827-B1 For the treatment of diseases in which increased calpain activity occurs such as neurodegenerative diseases or neuronal damage are caused by ischemia, trauma or mass hemorrhages ABBOTT LABORATORIES 2003-05-13 US disclosed