SCHEMBL7977532

SCHEMBL7977532

O=C(NC(=O)c1ccccc1)OCCCc1c[nH]cn1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NAAA Q02083 1/20 0.38

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
SCHEMBL7961372 0.83 NPC1 (0.62) SMN1; SMN2NPC1RECQLRAB9ANPSR1
SCHEMBL7974350 0.81 NPC1 (0.46) SMN1; SMN2NPC1RECQLRAB9AHRH3
SCHEMBL7977081 0.80 HRH3 (0.49) SMN1; SMN2NPC1RECQLRAB9AHRH3
SCHEMBL4376053 0.80 HRH3 (0.49) SMN1; SMN2NPC1RECQLRAB9AHRH3
SCHEMBL7961411 0.79 CHRNB2 (0.52) SMN1; SMN2L3MBTL1NPC1RECQLRAB9A
SCHEMBL4376634 0.79 NPC1 (0.47) SMN1; SMN2NPC1RECQLRAB9AHRH3
SCHEMBL4388838 0.78 HRH3 (0.38) SMN1; SMN2NPC1RECQLRAB9AHRH3
SCHEMBL7987181 0.78 GAA (0.55) SMN1; SMN2L3MBTL1HRH3ALDH1A1KDM4E
SCHEMBL4381005 0.78 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1NPC1RAB9ATDP1
SCHEMBL7988960 0.78 HRH3 (0.39) HRH3NAAA

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