SCHEMBL29082175

SCHEMBL29082175

CC1(C)C=C(B2OC(C)(C)C(C)(C)O2)CCC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.56
▸ MAPK1 P28482 1/20 0.44
▸ LPL P06858 5/20 0.32
▸ LIPG Q9Y5X9 5/20 0.32

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
SCHEMBL24514841 0.88 P2RX7 (0.50) P2RX7MAPK1LPLLIPG
SCHEMBL31570452 0.83 P2RX7 (0.55) P2RX7MAPK1LPLLIPG
SCHEMBL169762 0.72 P2RX7 (1.00) P2RX7MAPK1LPLLIPG
SCHEMBL31387242 0.72 P2RX7 (0.59) P2RX7MAPK1LPLLIPG
SCHEMBL18095998 0.71 P2RX7 (0.48) P2RX7MAPK1LPLLIPG
SCHEMBL422542 0.71 P2RX7 (0.89) P2RX7MAPK1LPLLIPG
SCHEMBL31387285 0.70 MAPK1 (0.46) P2RX7MAPK1LPLLIPG
SCHEMBL14330689 0.70 P2RX7 (0.57) P2RX7MAPK1LPLLIPG
SCHEMBL17470588 0.69 P2RX7 (0.85) P2RX7MAPK1LPLLIPG
SCHEMBL16189840 0.69 P2RX7 (0.85) P2RX7MAPK1LPLLIPG

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
CN-116615414-A Substituted 6, 7-dihydro-5H-benzo [7] rotaline compounds and derivatives thereof, method for the production and therapeutic use thereof 赛诺菲 2023-08-18 — — CN disclosed
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