SCHEMBL7976831

SCHEMBL7976831

O=C(Oc1nc(CCCOc2ccc(CS)cc2)c[nH]1)C(=O)Oc1nc(CCCOc2ccc(CS)cc2)c[nH]1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.37
KCNH2 Q12809 2/20 0.36
HRH3 Q9Y5N1 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33

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
SCHEMBL7990915 0.88 LMNA (0.42) HRH3MEN1KMT2A
SCHEMBL7991427 0.81 HRH3 (0.37) KCNH2HRH3
SCHEMBL7991347 0.79 MEN1 (0.48) MEN1KMT2A
SCHEMBL7987121 0.78 SMN1; SMN2 (0.46) KCNH2HRH3MEN1KMT2A
SCHEMBL7991433 0.78 ALDH1A1 (0.43)
SCHEMBL7988354 0.74 SMN1; SMN2 (0.45) HRH3MEN1KMT2A
SCHEMBL15130145 0.73 HRH3 (0.47) HRH3
SCHEMBL7990787 0.73 MCL1 (0.48) MEN1KMT2A
SCHEMBL6861934 0.72 HAO1 (0.34) KCNH2HRH3
SCHEMBL4390109 0.72 KCNH2 (0.39) KCNH2HRH3KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760811-A1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H 3? (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-03-12 EP claimed
WO-1996029315-A2 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-09-26 WO claimed
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US disclosed