SCHEMBL7988960

SCHEMBL7988960

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

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.39
HRH4 Q9H3N8 1/20 0.34
NAAA Q02083 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
SCHEMBL8798811 0.82 HRH3 (0.39) HRH3HRH4
SCHEMBL4384700 0.81 HRH3 (0.39) HRH3HRH4
SCHEMBL8686305 0.78 HRH3 (0.36) HRH3HRH4
SCHEMBL4376605 0.78 HRH3 (0.46) HRH3HRH4
SCHEMBL5157531 0.78 NAAA (0.35) HRH3HRH4NAAA
SCHEMBL7977532 0.78 SMN1; SMN2 (0.44) HRH3NAAA
SCHEMBL7994817 0.77 ACHE (0.47) HRH3HRH4
SCHEMBL4388838 0.77 HRH3 (0.38) HRH3NAAA
SCHEMBL8798359 0.76 HRH3 (0.47) HRH3HRH4
SCHEMBL480739 0.76 LMNA (0.46) HRH3HRH4NAAA

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 1 patent. 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