Sugi Predict

Sugi Predict / Compounds / SCHEMBL7987133

SCHEMBL7987133

SCHEMBL7987133

C=CCNC(=O)OCCCc1c[nH]cn1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 9/20 0.46
▸ HRH4 Q9H3N8 5/20 0.46

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
SCHEMBL161782 0.86 HRH3 (0.63) HRH3HRH4
SCHEMBL8793038 0.80 HRH3 (0.46) HRH3HRH4
SCHEMBL7994817 0.80 ACHE (0.47) HRH3HRH4
SCHEMBL8798811 0.79 HRH3 (0.39) HRH3HRH4
SCHEMBL5157531 0.78 NAAA (0.35) HRH3HRH4
SCHEMBL4383626 0.78 ACHE (0.53) HRH3
SCHEMBL7977157 0.78 HRH3 (0.47) HRH3HRH4
SCHEMBL4391856 0.78 HRH4 (0.36) HRH3HRH4
SCHEMBL7974350 0.77 NPC1 (0.46) HRH3
SCHEMBL4384378 0.77 ACHE (0.52) —

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 4 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
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 — — US disclosed