SCHEMBL4385041

SCHEMBL4385041

CCC(CC)(NC(=O)OCCCc1c[nH]cn1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.37
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
POLB P06746 1/20 0.35
NAAA Q02083 1/20 0.35
CTSK P43235 1/20 0.34

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
SCHEMBL4388838 0.86 HRH3 (0.38) HRH3NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL4384700 0.81 HRH3 (0.39) HRH3
SCHEMBL4385043 0.80 GLS (0.33) SMN1; SMN2
SCHEMBL7961372 0.77 NPC1 (0.62) NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL8686305 0.77 HRH3 (0.36) HRH3
SCHEMBL7977532 0.76 SMN1; SMN2 (0.44) HRH3NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL7974350 0.75 NPC1 (0.46) HRH3NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL8934842 0.75 HRH3 (0.35) HRH3
SCHEMBL4376053 0.74 HRH3 (0.49) HRH3NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL7977081 0.74 HRH3 (0.49) HRH3NPC1RECQLRAB9ASMN1; 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 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-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
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