SCHEMBL7962534

SCHEMBL7962534

CCOC(=O)C(Cc1cccnc1)NC(=O)C1CCN(C(=O)Nc2ccc(C=NN)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 1/20 0.42
CAPN1 P07384 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGDS O60760 1/20 0.42
FPR2 P25090 1/20 0.41
PSMB11 A5LHX3 4/20 0.41
PSMA7 O14818 4/20 0.41
PSMB1 P20618 4/20 0.41
PSMA1 P25786 4/20 0.41
PSMA2 P25787 4/20 0.41
PSMA3 P25788 4/20 0.41
PSMA4 P25789 4/20 0.41
PSMB8 P28062 4/20 0.41
PSMB9 P28065 4/20 0.41
PSMA5 P28066 4/20 0.41
PSMB4 P28070 4/20 0.41
PSMB6 P28072 4/20 0.41

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
SCHEMBL7976046 0.86 POLB (0.46) HTTFPR2PSMB11PSMA7PSMB1
SCHEMBL9394451 0.79 KMT2A (0.48) KMT2ANAMPT
SCHEMBL9394054 0.78 FAAH (0.41) HTTMAPTFPR2PSMB11PSMA7
SCHEMBL9394724 0.78 KMT2A (0.39) KMT2ATDP1MAPTALDH1A1
SCHEMBL7389409 0.78 KMT2A (0.47) KMT2ANAMPT
SCHEMBL7972470 0.77 ITGB3 (0.53) KDM4E
SCHEMBL7382928 0.76 GAA (0.48) KMT2AHTTMAPTNAMPTALDH1A1
SCHEMBL7380058 0.73 CTSG (0.40) KMT2AALDH1A1
SCHEMBL9260575 0.73 ITGA4 (0.43) FPR2NAMPTCYP2C9
SCHEMBL9394066 0.73 OPRK1 (0.40) KMT2ATDP1ALDH1A1TSHR

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 4 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 claimed
WO-1994019341-A1 UREA DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-09-01 WO claimed
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