SCHEMBL4376053

SCHEMBL4376053

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.49
HRH4 Q9H3N8 1/20 0.49
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RECQL P46063 1/20 0.39
CTSK P43235 1/20 0.39
TSHR P16473 1/20 0.38
LMNA P02545 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 0.84 NPC1 (0.47) HRH3HRH4NPC1RAB9ASMN1; SMN2
SCHEMBL4384755 0.82 HRH3 (0.47) HRH3HRH4
SCHEMBL4382548 0.81 NPC1 (0.47) HRH3HRH4NPC1RAB9ASMN1; SMN2
SCHEMBL7961372 0.81 NPC1 (0.62) NPC1RAB9ASMN1; SMN2RECQLTSHR
SCHEMBL4376605 0.81 HRH3 (0.46) HRH3HRH4
SCHEMBL7977532 0.80 SMN1; SMN2 (0.44) HRH3NPC1RAB9ASMN1; SMN2RECQL
SCHEMBL7974350 0.79 NPC1 (0.46) HRH3NPC1RAB9ASMN1; SMN2RECQL
SCHEMBL8798359 0.79 HRH3 (0.47) HRH3HRH4
SCHEMBL7991140 0.78 HRH3 (0.45) HRH3HRH4NPC1RAB9ASMN1; SMN2
SCHEMBL7977081 0.78 HRH3 (0.49) HRH3HRH4NPC1RAB9ASMN1; SMN2

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

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