SCHEMBL4382439

SCHEMBL4382439

O=C(NCc1cccs1)OCCCc1c[nH]cn1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
POLB P06746 2/20 0.43
ALDH1A1 P00352 5/20 0.42
HPGD P15428 4/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
TRPM8 Q7Z2W7 1/20 0.40

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
SCHEMBL7974350 0.81 NPC1 (0.46) SMN1; SMN2RAB9ANPC1
SCHEMBL7961151 0.77 HRH4 (0.39)
SCHEMBL7977425 0.77 FAAH (0.46) HPGDLMNAL3MBTL1
SCHEMBL7974343 0.77 HRH4 (0.51) POLBLMNA
SCHEMBL7961352 0.76 NAAA (0.43)
SCHEMBL7977081 0.75 HRH3 (0.49) LMNASMN1; SMN2RAB9ANPC1
SCHEMBL4376634 0.74 NPC1 (0.47) LMNASMN1; SMN2RAB9ANPC1
SCHEMBL7961411 0.74 CHRNB2 (0.52) HPGDLMNASMN1; SMN2L3MBTL1RAB9A
SCHEMBL7994817 0.74 ACHE (0.47)
SCHEMBL7961372 0.73 NPC1 (0.62) LMNASMN1; SMN2TSHRRAB9ANPC1

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
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
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 disclosed