SCHEMBL7243236

SCHEMBL7243236

COc1ccc(CN2CCCN(c3ncccc3C(=O)NC(C=O)Cc3ccccc3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
CAPN1 P07384 8/20 0.47
CTSS P25774 1/20 0.47
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CFTR P13569 1/20 0.42
GPR6 P46095 1/20 0.42
MEN1 O00255 1/20 0.41
FAAH O00519 2/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL7238926 0.97 CAPN1 (0.49) L3MBTL1CAPN1CTSSHSD17B10MAPT
SCHEMBL7238735 0.93 CAPN1 (0.53) CAPN1CTSSHSD17B10TSHRKMT2A
SCHEMBL7235830 0.89 CAPN1 (0.56) CAPN1CTSSHSD17B10TSHR
SCHEMBL7235461 0.89 CAPN1 (0.47) CAPN1CTSSHSD17B10TSHR
SCHEMBL7239256 0.88 L3MBTL1 (0.50) L3MBTL1CAPN1CTSSHSD17B10TSHR
SCHEMBL7243415 0.88 CAPN1 (0.47) CAPN1CTSSHSD17B10TSHRMAPT
SCHEMBL7239455 0.85 CAPN1 (0.49) CAPN1CTSSTSHRMAPTKMT2A
SCHEMBL7235428 0.84 CAPN1 (0.57) CAPN1CTSSHSD17B10TSHRKMT2A
SCHEMBL7235181 0.84 CAPN1 (0.50) L3MBTL1CAPN1CTSSHSD17B10MAPT
SCHEMBL7238619 0.82 L3MBTL1 (0.54) L3MBTL1HSD17B10KMT2ASIGMAR1CFTR

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