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SCHEMBL11568296

SCHEMBL11568296

CC(C)CC(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1)C(C)O)C(C)C)C(=O)N1CCCC1C(=O)NCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 4/20 0.44
▸ REN P00797 7/20 0.43
▸ CAPN1 P07384 4/20 0.42
▸ MAPK8 P45983 1/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ TGM2 P21980 1/20 0.40
▸ KDM1A O60341 1/20 0.39

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
SCHEMBL11568300 1.00 CALCRL (0.44) CALCRLRENCAPN1MAPK8MAPK9
SCHEMBL31461878 0.95 CAPN1 (0.49) CALCRLRENCAPN1MAPK8MAPK9
SCHEMBL31461969 0.93 CAPN1 (0.48) CALCRLRENCAPN1MAPK8MAPK9
SCHEMBL31461939 0.88 REN (0.51) RENMAPK8MAPK9MAPK10TGM2
SCHEMBL31462078 0.85 REN (0.47) RENCAPN1MAPK8MAPK9MAPK10
SCHEMBL31462102 0.85 REN (0.50) RENCAPN1MAPK8MAPK9MAPK10
SCHEMBL31461909 0.85 REN (0.50) RENCAPN1MAPK8MAPK9MAPK10
SCHEMBL31462018 0.84 REN (0.50) RENCAPN1MAPK8MAPK9MAPK10
SCHEMBL31461959 0.83 REN (0.50) RENCAPN1MAPK8MAPK9MAPK10
SCHEMBL31518677 0.83 MAPK8 (0.43) RENCAPN1MAPK8MAPK9MAPK10

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-4146614-A TREATMENT OF SCHIZOPHRENIA STATE OF MICHIGAN (US) 1979-03-27 — — US disclosed
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