SCHEMBL7235181

SCHEMBL7235181

COc1ccc(CN2CCN(c3ncccc3C(=O)NC(CO)Cc3ccccc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 3/20 0.50
CTSS P25774 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
PDE10A Q9Y233 3/20 0.48
SIGMAR1 Q99720 1/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
HSD17B10 Q99714 1/20 0.47
FAAH O00519 2/20 0.44
ACHE P22303 1/20 0.44
MEN1 O00255 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43

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
SCHEMBL7239256 0.97 L3MBTL1 (0.50) CAPN1CTSSL3MBTL1PDE10ASIGMAR1
SCHEMBL7242740 0.92 CAPN1 (0.57) CAPN1CTSSMAPTHSD17B10ROCK2
SCHEMBL7234744 0.91 CAPN1 (0.48) CAPN1CTSSPDE10AKMT2AHSD17B10
SCHEMBL7238990 0.88 CAPN1 (0.54) CAPN1CTSSKMT2AHSD17B10MEN1
SCHEMBL7238926 0.87 CAPN1 (0.49) CAPN1CTSSL3MBTL1SIGMAR1KMT2A
SCHEMBL7242368 0.87 CAPN1 (0.49) CAPN1CTSSKMT2AMAPTMEN1
SCHEMBL7234776 0.87 CAPN1 (0.51) CAPN1CTSSPDE10ASIGMAR1KMT2A
SCHEMBL7242879 0.85 CAPN1 (0.47) CAPN1CTSSMAPTHSD17B10
SCHEMBL7235183 0.84 L3MBTL1 (0.48) CAPN1CTSSL3MBTL1SIGMAR1KMT2A
SCHEMBL7243236 0.84 L3MBTL1 (0.49) CAPN1CTSSL3MBTL1SIGMAR1KMT2A

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