SCHEMBL7971428

SCHEMBL7971428

N#Cc1ccc(OCCCc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 15/20 0.43
KMT2A Q03164 1/20 0.41
SIRT2 Q8IXJ6 2/20 0.41
CYP19A1 P11511 1/20 0.40
MAOB P27338 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
SCHEMBL7974401 0.85 SIRT2 (0.43) SIRT2
SCHEMBL7972712 0.84 NOS1 (0.43) SIRT2
SCHEMBL4379824 0.83 SIRT2 (0.43) SIRT2
SCHEMBL2787690 0.80 CYP19A1 (0.40) SIRT2CYP19A1MAOB
SCHEMBL7977095 0.80 SIRT2 (0.45) SIRT2
SCHEMBL7977246 0.78 SIRT2 (0.43) SIRT2
SCHEMBL8174813 0.78 MAOB (0.40) MEN1CYP19A1MAOB
SCHEMBL3821641 0.78 SIRT2 (0.46) SIRT2
SCHEMBL2490264 0.76 SIRT2 (0.48) MEN1KMT2ASIRT2CYP19A1MAOB
SCHEMBL2796109 0.75 SIRT2 (0.52) SIRT2CYP19A1

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
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
EP-0597088-B1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INST NAT SANTE RECH MED (FR) 2000-12-06 EP 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
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 disclosed
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 disclosed