SCHEMBL11460605

SCHEMBL11460605

CC(N)C(=O)NC(CF)Cc1cnc[nH]1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 3/20 0.51
▸ HRH3 Q9Y5N1 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ GLA P06280 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ THPO P40225 1/20 0.51
▸ CYP3A4 P08684 1/20 0.50
▸ SLC7A5 Q01650 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ APEX1 P27695 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ NLN Q9BYT8 1/20 0.45

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
SCHEMBL11469152 0.83 QPCT (0.50) HRH4HRH3ALDH1A1MEN1GLA
SCHEMBL1161012 0.80 ITGB2 (0.59) HRH4HRH3ALDH1A1MEN1GLA
SCHEMBL308989 0.80 ITGB2 (0.59) HRH4HRH3ALDH1A1MEN1GLA
SCHEMBL1229751 0.80 ITGB2 (0.59) HRH4HRH3ALDH1A1MEN1GLA
SCHEMBL27469252 0.79 ITGB2 (0.58) HRH4HRH3ALDH1A1MEN1GLA
SCHEMBL11468018 0.74 CTRB1 (0.34) —
SCHEMBL29368268 0.74 SLC15A2 (0.53) HRH4HRH3ALDH1A1MEN1GLA
SCHEMBL13331622 0.73 CYP3A4 (0.69) HRH4HRH3ALDH1A1MEN1GLA
SCHEMBL6957266 0.73 CYP3A4 (0.69) HRH4HRH3ALDH1A1MEN1GLA
SCHEMBL18162790 0.73 CYP3A4 (0.69) HRH4HRH3ALDH1A1MEN1GLA

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-4221914-A ANTIHISTAMINES, HISTIDINE DECARBOXYLASE INHIBITORS MERRELL TORAUDE ET COMPAGNIE (FR) 1980-09-09 — — US disclosed
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