SCHEMBL7044052

SCHEMBL7044052

CCNC(C(=O)OCC)c1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
MEN1 O00255 1/20 0.58
GAA P10253 1/20 0.58
KMT2A Q03164 1/20 0.58
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 2/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 3/20 0.43
NOS2 P35228 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PKM P14618 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 2/20 0.40
ABCB11 O95342 1/20 0.40
ESR1 P03372 1/20 0.40
ADRA2A P08913 1/20 0.40

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
SCHEMBL6120106 0.83 SMN1; SMN2 (0.56) SMN1; SMN2MEN1GAAKMT2AALDH1A1
SCHEMBL1162993 0.80 SMN1; SMN2 (0.66) SMN1; SMN2MEN1GAAKMT2AALDH1A1
SCHEMBL2184519 0.78 SMN1; SMN2 (0.64) SMN1; SMN2MEN1GAAKMT2AALDH1A1
SCHEMBL6076413 0.78 SMN1; SMN2 (0.64) SMN1; SMN2MEN1GAAKMT2AALDH1A1
SCHEMBL3243742 0.77 SMN1; SMN2 (0.62) SMN1; SMN2MEN1GAAKMT2AALDH1A1
SCHEMBL21745741 0.77 SMN1; SMN2 (0.62) SMN1; SMN2MEN1GAAKMT2AALDH1A1
SCHEMBL8872516 0.77 SMN1; SMN2 (0.62) SMN1; SMN2MEN1GAAKMT2AALDH1A1
SCHEMBL27574237 0.76 SMN1; SMN2 (0.68) SMN1; SMN2MEN1GAAKMT2ALMNA
SCHEMBL9703145 0.76 SMN1; SMN2 (0.54) SMN1; SMN2MEN1GAAKMT2AALDH1A1
SCHEMBL16166404 0.76 SMN1; SMN2 (0.61) SMN1; SMN2MEN1GAAKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977735-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-03-26 EP disclosed
US-6191304-B1 REDUCTION OF AN ALKYL 3-ALKYLOXY-11-OXO-10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTEN-10-ACETATE BY HYDROGENOLYSIS USING A PALLADIUM/ACTIVATED CARBON CATALYST; INTERMEDIATES FOR3-((4-AMINOPYRID-2-YL)AMINOALKYLENEOXY) DERIVATIVES SMITHKLINE BEECHAM CORPORATION 2001-02-20 US disclosed
US-6069158-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-05-30 US disclosed
EP-0977735-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-04-05 EP disclosed
EP-0977735-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-09 EP disclosed
WO-1998030542-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-07-16 WO disclosed