SCHEMBL25021680

SCHEMBL25021680

C=CCCCc1c(CC)nc(OCCN2CCCCC2)nc1N(CCC)CCC

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 3/20 0.35
▸ LTA4H P09960 1/20 0.32
▸ HRH3 Q9Y5N1 5/20 0.32
▸ TLR7 Q9NYK1 6/20 0.32
▸ ACHE P22303 1/20 0.31
▸ AGER Q15109 1/20 0.30

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
SCHEMBL21846218 0.95 HRH3 (0.35) CRHR1HRH3TLR7
SCHEMBL21895740 0.73 ALDH1A1 (0.41) CRHR1HRH3TLR7
SCHEMBL21912197 0.73 HPGD (0.32) HRH3TLR7
SCHEMBL21912198 0.71 CRHR1 (0.34) CRHR1
SCHEMBL19636917 0.66 HRH3 (0.42) HRH3
SCHEMBL21912124 0.66 — —
SCHEMBL19637324 0.65 TLR7 (0.36) LTA4HHRH3TLR7
SCHEMBL21895536 0.64 TLR7 (0.38) TLR7
SCHEMBL22087281 0.64 KRAS (0.40) HRH3TLR7
SCHEMBL25019821 0.60 CRHR1 (0.30) CRHR1

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
EP-3710439-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-02-15 — — EP disclosed
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