SCHEMBL5282391

SCHEMBL5282391

CCN(CC)CCCOc1ccc(C#N)cc1.CCN(CC)CCCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.58
MAPT P10636 4/20 0.52
ALDH1A1 P00352 1/20 0.49
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ATM Q13315 1/20 0.47
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
ABCB11 O95342 1/20 0.44
CYP19A1 P11511 1/20 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
SCHEMBL491598 0.91 KCNH2 (0.68) KCNH2MAPTALDH1A1L3MBTL1ATM
Hydrochloric Acid SCHEMBL10425864 0.89 KCNH2 (0.67) KCNH2MAPTALDH1A1L3MBTL1ATM
SCHEMBL491657 0.86 KDM4E (0.55) KCNH2ABCB11CYP19A1
SCHEMBL1735260 0.83 KCNH2 (0.79) KCNH2MAPTALDH1A1L3MBTL1ATM
SCHEMBL492188 0.82 MAOA (0.51) CYP19A1
Oxalic Acid SCHEMBL5678996 0.81 ALDH1A1 (0.52) KCNH2MAPTALDH1A1ABCB11
SCHEMBL491842 0.81 MAOA (0.53)
SCHEMBL5857711 0.81 MAOA (0.50) CYP19A1
SCHEMBL492104 0.81 MAOA (0.53)
Hydrochloric Acid SCHEMBL10426105 0.81 KCNH2 (0.66) KCNH2MAPTALDH1A1NPC1L3MBTL1

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-1100503-A2 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H 3?-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS SOCIETE CIVILE BIOPROJET (FR) 2001-05-23 EP claimed
WO-2000006254-A2 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS SOCIETE CIVILE BIOPROJET (FR) 2000-02-10 WO claimed
EP-1863486-A2 TREATMENT OF EPILEPSY WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS BIOPROJET (FR) 2007-12-12 EP disclosed
WO-2006103537-A2 TREATMENT OF EPILEPSY WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS BIOPROJET (FR) 2006-10-05 WO disclosed
EP-1100503-A2 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H 3?-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS SOCIETE CIVILE BIOPROJET (FR) 2001-05-23 EP disclosed
WO-2000006254-A2 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS SOCIETE CIVILE BIOPROJET (FR) 2000-02-10 WO disclosed