SCHEMBL30355190

SCHEMBL30355190

COc1cc(C2CC(Oc3ccc(C#N)cc3)C(N3CCCC(N)C3)C2)ccc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TRPC6 Q9Y210 20/20 1.00
▸ TRPC3 Q13507 15/20 1.00
▸ KCNH2 Q12809 3/20 0.50
▸ SCN5A Q14524 2/20 0.49

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
SCHEMBL21563723 1.00 TRPC6 (1.00) TRPC6TRPC3KCNH2SCN5A
SCHEMBL21550598 1.00 TRPC6 (1.00) TRPC6TRPC3KCNH2SCN5A
SCHEMBL21550532 0.88 TRPC6 (1.00) TRPC6TRPC3KCNH2
SCHEMBL23068161 0.88 TRPC6 (1.00) TRPC6TRPC3KCNH2
SCHEMBL29025010 0.82 TRPC3 (0.68) TRPC6TRPC3
SCHEMBL21550361 0.79 TRPC3 (1.00) TRPC6TRPC3
SCHEMBL23068167 0.79 TRPC3 (1.00) TRPC6TRPC3
SCHEMBL30355262 0.76 TRPC3 (0.75) TRPC6TRPC3
SCHEMBL23068172 0.75 TRPC6 (1.00) TRPC6TRPC3
SCHEMBL21550534 0.75 TRPC6 (1.00) TRPC6TRPC3

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
CN-112424182-B Cyclopentane compounds 迪哲(江苏)医药股份有限公司 2023-05-23 — — CN claimed
CN-112424182-B Cyclopentane compounds 迪哲(江苏)医药股份有限公司 2023-05-23 — — CN disclosed
Send feedback