SCHEMBL26481791

SCHEMBL26481791

CCc1ccc(-c2c(F)cc(-c3ccc(CC4CC4)cc3)cc2F)s1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 1/20 0.35
▸ CTSC P53634 1/20 0.35
▸ GRIN2B Q13224 3/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.32
▸ SLC5A1 P13866 1/20 0.30
▸ SLC5A2 P31639 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
SCHEMBL26565787 0.95 CTSK (0.35) CTSKCTSCGRIN2BRPS6KB1
SCHEMBL26481792 0.95 CTSK (0.35) CTSKCTSCGRIN2BRPS6KB1
SCHEMBL27410170 0.90 MCHR1 (0.32) CTSKCTSCFFAR4
SCHEMBL27027386 0.86 CTSK (0.35) CTSKCTSCGRIN2BFFAR4SLC5A1
SCHEMBL27410172 0.85 MCHR1 (0.31) CTSKCTSCSLC5A1SLC5A2
SCHEMBL27027365 0.85 RARB (0.33) FFAR4
SCHEMBL27410174 0.85 MCHR1 (0.31) CTSKCTSC
SCHEMBL224331 0.85 GRIN2B (0.34) CTSKCTSCGRIN2B
SCHEMBL26558502 0.85 RPS6KB1 (0.35) GRIN2BRPS6KB1
SCHEMBL26481784 0.82 CTSK (0.35) CTSKCTSCGRIN2BSLC5A1SLC5A2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024126567-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2024-06-20 — — WO disclosed
US-20240067879-A1 Liquid-crystal medium MERCK PATENT GMBH (DE) 2024-02-29 — — US disclosed
US-20240067879-A1 Liquid-crystal medium MERCK PATENT GMBH (DE) 2024-02-29 — — US disclosed
EP-4306615-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2024-01-17 — — EP disclosed
EP-4306614-A1 LIQUID-CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2024-01-17 — — EP disclosed
WO-2023198673-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2023-10-19 — — WO disclosed
WO-2023198669-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2023-10-19 — — WO disclosed
WO-2023198671-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2023-10-19 — — WO disclosed
EP-4261269-A1 LIQUID-CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2023-10-18 — — EP disclosed
US-20230323207-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2023-10-12 — — US disclosed
US-20230323207-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2023-10-12 — — US disclosed
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