SCHEMBL7977480

SCHEMBL7977480

O=C(NC1CCCCC1)OCCCc1c[nH]cn1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.51
HRH3 Q9Y5N1 5/20 0.43
HRH4 Q9H3N8 3/20 0.42
NAAA Q02083 2/20 0.40
ALDH1A1 P00352 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
SCHEMBL7971425 0.83 HRH3 (0.50) EPHX1HRH3HRH4NAAA
SCHEMBL7974443 0.79 HRH3 (0.46) HRH3HRH4NAAA
SCHEMBL7977157 0.79 HRH3 (0.47) HRH3HRH4NAAA
SCHEMBL12196113 0.77 EPHX1 (0.58) EPHX1ALDH1A1
SCHEMBL4376605 0.76 HRH3 (0.46) HRH3HRH4
SCHEMBL5157531 0.76 NAAA (0.35) HRH3HRH4NAAA
SCHEMBL7987244 0.75 SMN1; SMN2 (0.43) HRH3NAAA
SCHEMBL4384276 0.75 SMN1; SMN2 (0.43) HRH3NAAA
SCHEMBL13625188 0.74 EPHX1 (0.78) EPHX1NAAAALDH1A1
SCHEMBL4381424 0.74 ALDH1A1 (0.36) HRH3ALDH1A1

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 5 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
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