SCHEMBL19636917

SCHEMBL19636917

CCc1c(C)nc(OCCCN2CCCCC2)nc1N(CC)CC

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 8/20 0.42
▸ KCNH2 Q12809 3/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL19637165 0.88 HRH3 (0.45) HRH3KCNH2SIGMAR1ALDH1A1
SCHEMBL19637369 0.74 HTT (0.35) —
SCHEMBL21846218 0.72 HRH3 (0.35) HRH3
SCHEMBL21895605 0.71 KRAS (0.43) HRH3KCNH2HRH4
SCHEMBL25997033 0.68 L3MBTL1 (0.54) HRH3KCNH2HRH1HRH4ALDH1A1
Hydrochloric Acid SCHEMBL7901429 0.63 KCNH2 (0.63) KCNH2
SCHEMBL4465342 0.62 HRH3 (0.50) HRH3KCNH2HRH1HRH4
SCHEMBL1875861 0.62 HRH3 (0.56) HRH3KCNH2HRH1HRH4ALDH1A1
SCHEMBL23804894 0.61 HRH3 (0.77) HRH3KCNH2SIGMAR1HRH1ALDH1A1
SCHEMBL491935 0.61 HRH3 (0.88) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3710439-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-02-15 — — EP disclosed
WO-2017201161-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2017-11-23 — — WO disclosed
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