SCHEMBL7977076

SCHEMBL7977076

O=C(NCCCc1c[nH]cn1)NCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.63
EPHX1 P07099 3/20 0.55
KEAP1 Q14145 2/20 0.47
NFE2L2 Q16236 2/20 0.47
FES P07332 1/20 0.45
RET P07949 1/20 0.45
MARK3 P27448 1/20 0.45
TYK2 P29597 1/20 0.45
FLT4 P35916 1/20 0.45
SYK P43405 1/20 0.45
CLK2 P49760 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA4 P22748 3/20 0.44
CA5A P35218 3/20 0.44
CA7 P43166 3/20 0.44

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
SCHEMBL7974337 0.82 L3MBTL1 (0.58) KEAP1NFE2L2KDM4EL3MBTL1GAA
SCHEMBL7974350 0.81 NPC1 (0.46) SMN1; SMN2
SCHEMBL7974690 0.80 L3MBTL1 (0.62) KDM4EL3MBTL1ALDH1A1GAA
SCHEMBL7961411 0.79 CHRNB2 (0.52) EPHX2SMN1; SMN2L3MBTL1GAA
SCHEMBL9867117 0.79 L3MBTL1 (0.43) EPHX2EPHX1KDM4EPOLBL3MBTL1
SCHEMBL7994725 0.79 L3MBTL1 (0.33) EPHX2EPHX1KDM4ESMN1; SMN2POLB
SCHEMBL17117339 0.79 EPHX2 (1.00) EPHX2EPHX1KEAP1NFE2L2KDM4E
SCHEMBL21820172 0.77 CNR1 (0.36) EPHX2EPHX1SMN1; SMN2CA12CA1
SCHEMBL9866251 0.77 SIGMAR1 (0.42) EPHX2L3MBTL1GAA
SCHEMBL6435482 0.77 EPHX2 (0.83) EPHX2EPHX1KEAP1NFE2L2FES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37303-E1 Imidazole compounds and their therapeutic applications INSTITUT NATIONAL DEL LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2001-07-31 US claimed
US-5708171-A HISTAMINE H3-RECEPTOR ANTAGONIST INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-01-13 US claimed
EP-0597088-A1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1994-05-18 EP claimed
WO-1993014070-A2 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1993-07-22 WO claimed
US-RE37303-E1 Imidazole compounds and their therapeutic applications INSTITUT NATIONAL DEL LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2001-07-31 US disclosed
US-5708171-A HISTAMINE H3-RECEPTOR ANTAGONIST INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-01-13 US disclosed
US-5559113-A ANTAGONISTS TO HISTAMINE H3 RECEPTORS, SEDATIVES, ANTICONVULSANTS, ANTIULCER AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE 1996-09-24 US disclosed