SCHEMBL8408032

SCHEMBL8408032

Cc1ccc(C(=O)N[C@@H](CN[C@H]2CCOC2O)CC(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 15/20 0.51
L3MBTL1 Q9Y468 1/20 0.43
CAPNS1 P04632 1/20 0.43
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37

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
SCHEMBL8404255 0.90 HTT (0.46) CAPN1CAPNS1NPC1RAB9A
SCHEMBL8810535 0.90 CAPN1 (0.52) CAPN1CAPNS1HPGD
SCHEMBL8809572 0.90 CAPN1 (0.50) CAPN1CAPNS1CTSSCTSK
SCHEMBL8807780 0.89 TAS1R3 (0.46) CAPN1CAPNS1CTSS
SCHEMBL8810404 0.88 CAPN1 (0.46) CAPN1CAPNS1
SCHEMBL8812425 0.88 CAPN1 (0.53) CAPN1L3MBTL1CAPNS1HPGDSMN1; SMN2
SCHEMBL8809378 0.88 HDAC4 (0.42) CAPN1CAPNS1NPC1RAB9A
SCHEMBL8810035 0.87 CAPN1 (0.52) CAPN1CAPNS1HPGDNPC1CYP2C19
SCHEMBL8810413 0.86 TAS1R3 (0.49) CAPN1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL8812456 0.84 CASP1 (0.52) CAPN1CAPNS1CTSK

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
EP-0925786-A1 REMEDIES FOR ISCHEMIC DISEASES MITSUBISHI CHEMICAL CORPORATION (JP) 1999-06-30 EP disclosed
EP-0810221-A1 OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 1997-12-03 EP disclosed