SCHEMBL9087014

SCHEMBL9087014

CN(CC(=O)O)C(=O)CC[C@@H](C(=O)O)N(C(C)(C)C)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MVD P53602 1/20 0.33
CCKBR P32239 1/20 0.30

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
SCHEMBL5571472 0.81 CYP1A2 (0.45)
SCHEMBL5571470 0.81 CYP1A2 (0.45)
SCHEMBL9219251 0.81 CYP1A2 (0.45)
Hydrochloric Acid SCHEMBL3471976 0.79 CYP1A2 (0.43)
Hydrochloric Acid SCHEMBL18342498 0.79 CYP1A2 (0.43)
Hydrochloric Acid SCHEMBL3471974 0.79 CYP1A2 (0.43)
SCHEMBL16240446 0.74 ALOX15 (0.45)
SCHEMBL16240444 0.74 ALOX15 (0.45)
SCHEMBL1768346 0.73 GRM8 (0.55)
SCHEMBL1768348 0.73 GRM8 (0.55)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5561133-A Thymidylate synthase inhibiting quinazolinones BRITISH TECHNOLOGY GROUP LIMITED (GB) 1996-10-01 US disclosed
EP-0631576-A1 DIPEPTIDYLQUINAZOLONES AS ANTI-CANCER AGENTS BTG INTERNATIONAL LIMITED (GB) 1995-01-04 EP disclosed
WO-1993019051-A1 DIPEPTIDYLQUINAZOLONES AS ANTI-CANCER AGENTS BRITISH TECHNOLOGY GROUP LTD (GB) 1993-09-30 WO disclosed