SCHEMBL7978728

SCHEMBL7978728

N#Cc1ccc(NC(=O)C2CCCN(C(=O)O)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.52
RHOA P61586 4/20 0.52
POLB P06746 2/20 0.50
ALDH1A1 P00352 1/20 0.50
EPHX1 P07099 1/20 0.49
GAA P10253 1/20 0.48
PAX8 Q06710 1/20 0.47
PTPN1 P18031 2/20 0.47
HPGD P15428 2/20 0.47
RHOC P08134 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
CCR2 P41597 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
CASP3 P42574 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SENP7 Q9BQF6 1/20 0.46

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
SCHEMBL5554906 0.83 RAB9A (0.72) RAB9APOLBALDH1A1PTPN1KMT2A
SCHEMBL26986504 0.83 TP53 (0.57) RAB9ARHOAPOLBALDH1A1PTPN1
SCHEMBL27136774 0.83 RAB9A (0.55) RAB9ARHOAPOLBALDH1A1GAA
SCHEMBL27124630 0.83 TP53 (0.57) RAB9ARHOAPOLBALDH1A1PTPN1
SCHEMBL5554898 0.83 RAB9A (0.72) RAB9APOLBALDH1A1PTPN1KMT2A
SCHEMBL26986347 0.83 RAB9A (0.55) RAB9ARHOAPOLBALDH1A1GAA
SCHEMBL23130434 0.82 PTPN1 (0.68) RAB9AALDH1A1EPHX1PAX8PTPN1
SCHEMBL29136093 0.80 DPP4 (0.48) EPHX1KMT2ACCR2
SCHEMBL27177281 0.80 DPP4 (0.48) EPHX1KMT2ACCR2
SCHEMBL23390168 0.77 EPHX2 (0.60) RAB9ARHOAPOLBALDH1A1EPHX1

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