SCHEMBL4382548

SCHEMBL4382548

CC(CNC(=O)OCCCc1c[nH]cn1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
HRH3 Q9Y5N1 4/20 0.43
HRH4 Q9H3N8 2/20 0.43
ALDH1A1 P00352 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
SCHEMBL4376634 0.90 NPC1 (0.47) NPC1RAB9ASMN1; SMN2LMNAHRH3
SCHEMBL4384755 0.83 HRH3 (0.47) HRH3HRH4
SCHEMBL4379617 0.82 NPC1 (0.43) NPC1RAB9ASMN1; SMN2LMNAHRH3
SCHEMBL4376053 0.81 HRH3 (0.49) NPC1RAB9ASMN1; SMN2LMNAHRH3
SCHEMBL4390122 0.81 HRH3 (0.63) HRH3HRH4
SCHEMBL7991140 0.81 HRH3 (0.45) NPC1RAB9ASMN1; SMN2LMNAHRH3
SCHEMBL7974350 0.80 NPC1 (0.46) NPC1RAB9ASMN1; SMN2HRH3
SCHEMBL7977081 0.79 HRH3 (0.49) NPC1RAB9ASMN1; SMN2LMNAHRH3
SCHEMBL7961411 0.78 CHRNB2 (0.52) NPC1RAB9ASMN1; SMN2LMNAHRH3
SCHEMBL28335649 0.78 NPC1 (0.69) NPC1RAB9ASMN1; SMN2LMNAALDH1A1

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-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US claimed
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
EP-0760811-B1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 MODULATORS INST NAT SANTE RECH MED (FR) 2009-11-18 EP disclosed
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US disclosed