SCHEMBL7976046

SCHEMBL7976046

CCOC(=O)C(Cc1cccnc1)NC(=O)N1CCCC(C(=O)Nc2ccc(C=NN)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
ATM Q13315 1/20 0.46
FPR2 P25090 1/20 0.44
PSMB5 P28074 4/20 0.43
PSMB11 A5LHX3 3/20 0.43
PSMA7 O14818 3/20 0.43
PSMB1 P20618 3/20 0.43
PSMA1 P25786 3/20 0.43
PSMA2 P25787 3/20 0.43
PSMA3 P25788 3/20 0.43
PSMA4 P25789 3/20 0.43
PSMB8 P28062 3/20 0.43
PSMB9 P28065 3/20 0.43
PSMA5 P28066 3/20 0.43
PSMB4 P28070 3/20 0.43
PSMB6 P28072 3/20 0.43
PSMB10 P40306 3/20 0.43
PSMB3 P49720 3/20 0.43
PSMB2 P49721 3/20 0.43

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
SCHEMBL9394054 0.87 FAAH (0.41) POLBGAAFPR2PSMB5PSMB11
SCHEMBL7962534 0.86 KMT2A (0.44) FPR2PSMB5PSMB11PSMA7PSMB1
SCHEMBL7962547 0.79 ITGB3 (0.55) ATM
SCHEMBL9394451 0.78 KMT2A (0.48) POLBNAMPT
SCHEMBL9392962 0.76 POLB (0.48) POLBHTT
SCHEMBL9394724 0.76 KMT2A (0.39) POLBGAASMN1; SMN2
SCHEMBL7389409 0.76 KMT2A (0.47) POLBNAMPT
SCHEMBL7382928 0.74 GAA (0.48) POLBGAALMNAHTTNAMPT
SCHEMBL7962515 0.72 ITGB3 (0.49) POLBGAAATMRAB9ANPC1
SCHEMBL7380058 0.72 CTSG (0.40)

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
US-6268380-B1 E.G., ETHYL BETA-((N-3(((4(AMINOIMINOMETHYL)PHENYL)AMINO)CARBONYL)PIPERIDY LCARBONYL)AMINO)-3-PYRIDINEPROPANOATE G. D. SEARLE & CO. 2001-07-31 US disclosed
WO-1994019341-A1 UREA DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-09-01 WO disclosed