SCHEMBL7144470

SCHEMBL7144470

c1ccc2c(c1)CCC(c1cc3ccccc3nn1)[N]2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL4370064 0.79 NPC1 (0.40) KDM4EMAPTMEN1NPC1TP53
SCHEMBL31216751 0.66 KDM4E (0.40) KDM4EMAPTNPC1CYP3A4CYP2C9
SCHEMBL4080687 0.66 DDB1 (0.48) KDM4EMAPTNPC1RAB9AKMT2A
SCHEMBL29733076 0.65 MEN1 (0.50) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL5718085 0.65 KDM4E (0.36) KDM4EMAPTALDH1A1GLAHPGD
SCHEMBL9008328 0.64 NPC1 (0.41) KDM4EMAPTMEN1NPC1TP53
Hydrochloric Acid SCHEMBL29733079 0.64 MEN1 (0.49) KDM4EMEN1NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL29733086 0.64 MEN1 (0.49) KDM4EMEN1NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL29733077 0.64 MEN1 (0.49) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL6796979 0.64 NOS3 (0.46) KDM4EMAPTTSHRSMN1; SMN2ACHE

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-6121260-A Method of treating conditions susceptible to modulation of NPY receptors with diarylimidazole derivatives NEUROGEN CORPORATION (US) 2000-09-19 US claimed
EP-0996443-A1 CERTAIN DIARYLIMIDAZOLE DERIVATIVES; A NEW CLASS OF NPY SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2000-05-03 EP claimed
WO-1999001128-A1 CERTAIN DIARYLIMIDAZOLE DERIVATIVES; A NEW CLASS OF NPY SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1999-01-14 WO claimed
US-6515133-B1 Certain diaryl imidazoles act as partial agonists or antagonists for NPY receptors, in particular NPY 5 receptors. They are of use, for example in treating loss of appetite. Such compounds bear aryl groups in the 2 position. NEUROGEN CORPORATION 2003-02-04 US disclosed
US-6121260-A Method of treating conditions susceptible to modulation of NPY receptors with diarylimidazole derivatives NEUROGEN CORPORATION (US) 2000-09-19 US disclosed
EP-0996443-A1 CERTAIN DIARYLIMIDAZOLE DERIVATIVES; A NEW CLASS OF NPY SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2000-05-03 EP disclosed
WO-1999001128-A1 CERTAIN DIARYLIMIDAZOLE DERIVATIVES; A NEW CLASS OF NPY SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1999-01-14 WO disclosed