SCHEMBL4382422

SCHEMBL4382422

O=C(O)NCCCCCCc1c[nH]cn1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.36
HRH3 Q9Y5N1 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
ASAH1 Q13510 1/20 0.32

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
SCHEMBL4385039 1.00 TRPV1 (0.36) TRPV1HRH3HPGDSMN1; SMN2MAPK1
SCHEMBL7994725 0.94 L3MBTL1 (0.33) HRH3HPGDSMN1; SMN2KMT2A
SCHEMBL13734799 0.87 MAPT (0.33) HPGDSMN1; SMN2KMT2A
SCHEMBL11107449 0.85 TRPV1 (0.33) TRPV1HRH3
SCHEMBL11109555 0.84 HRH3 (0.31) TRPV1HRH3
SCHEMBL4386824 0.82 HRH3 (0.36) HRH3
SCHEMBL11110534 0.81 HRH4 (0.44) HRH3
Anisole SCHEMBL18991293 0.80 PTPN1 (0.43) HRH3SMN1; SMN2KMT2A
SCHEMBL11036952 0.79 HRH2 (0.30) HRH3
SCHEMBL4390126 0.79 HRH4 (0.36) 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 3 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 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