SCHEMBL7973029

SCHEMBL7973029

c1cnc(NCCc2c[nH]cn2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.42
CYP1A2 P05177 1/20 0.39
SLC47A1 Q96FL8 1/20 0.37
TERT O14746 1/20 0.35
CCNT1 O60563 2/20 0.34
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
CDK9 P50750 2/20 0.34
OGA O60502 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
LMNA P02545 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ALOX15 P16050 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
SLC6A2 P23975 1/20 0.31
HRH2 P25021 1/20 0.31

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
SCHEMBL2391915 0.80 CYP1A2 (0.66) ALDH1A1HPGDCYP1A2HRH3LMNA
SCHEMBL31364603 0.77 ALDH1A1 (0.31) ALDH1A1CYP1A2
SCHEMBL31364605 0.77 ALDH1A1 (0.31) ALDH1A1CYP1A2
SCHEMBL7971482 0.73 ALDH1A1 (0.41) ALDH1A1HPGDCYP1A2HTR1D
SCHEMBL119179 0.73
SCHEMBL1373825 0.73
SCHEMBL5452994 0.73 NPC1 (0.34) ALDH1A1CYP1A2LMNANPC1RAB9A
SCHEMBL11289554 0.73
SCHEMBL3379483 0.73
SCHEMBL17654953 0.72 EPHX2 (0.33) ALDH1A1CYP1A2ALOX15HRH4

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 9 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
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