SCHEMBL8305436

SCHEMBL8305436

CCOC(=O)[C@@H]1CN1C(=O)N[C@@H](CC(C)C)C(=O)N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 13/20 0.44
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.41
CHRM1 P11229 1/20 0.40
TSHR P16473 1/20 0.40
CAPN9 O14815 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
SCHEMBL8310281 0.89 CYP3A4 (0.50) GAASMN1; SMN2POLBTSHR
SCHEMBL7397775 0.78 GAA (0.48) CACNA1BGAAALOX15SMN1; SMN2TSHR
SCHEMBL11213032 0.77 CAPN1 (0.59) CACNA1BGAAALOX15SMN1; SMN2TSHR
SCHEMBL11209259 0.76 CAPN1 (0.60) GAAALOX15SMN1; SMN2TSHRCAPN9
SCHEMBL7363254 0.74 CAPN9 (0.51) POLBCAPN9
SCHEMBL1954172 0.73 MMP1 (0.48) CACNA1BTSHR
SCHEMBL8308565 0.71 CTSL (0.51) GAASMN1; SMN2POLB
SCHEMBL7357371 0.68 CYP3A4 (0.49) GAAALOX15SMN1; SMN2POLBTSHR
SCHEMBL7352660 0.68 MAPK1 (0.54) TSHR
SCHEMBL11195762 0.68 FKBP1A (0.42) GAA

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-0753003-B1 AZIRIDINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-06-16 EP disclosed
US-5668128-A INHIBITORS OF THIOL PROTEASE, PROPHYLAXIS AND TREATMENT OF BONE DISEASES, OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-16 US disclosed