SCHEMBL7974350

SCHEMBL7974350

O=C(NCc1ccccc1)OCCCc1c[nH]cn1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
CHRNA7 P36544 1/20 0.42

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
SCHEMBL7977081 0.89 HRH3 (0.49) NPC1RECQLRAB9ASMN1; SMN2HRH3
SCHEMBL7974343 0.88 HRH4 (0.51) HRH3
SCHEMBL7961151 0.88 HRH4 (0.39) HRH3
SCHEMBL7977425 0.88 FAAH (0.46) HRH3
SCHEMBL7961411 0.88 CHRNB2 (0.52) NPC1RECQLRAB9ASMN1; SMN2HRH3
SCHEMBL7961352 0.85 NAAA (0.43)
SCHEMBL4376634 0.83 NPC1 (0.47) NPC1RECQLRAB9ASMN1; SMN2HRH3
SCHEMBL7961372 0.82 NPC1 (0.62) NPC1RECQLRAB9ASMN1; SMN2CHRNA7
SCHEMBL4382439 0.81 USP2 (0.44) NPC1RAB9ASMN1; SMN2
SCHEMBL4384755 0.81 HRH3 (0.47) HRH3

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