SCHEMBL17469262

SCHEMBL17469262

CC(C)(C)OC(=O)N1CCc2cc(OS(=O)(=O)C(F)(F)F)cc(Br)c2C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.46
▸ NR1H2 P55055 1/20 0.46
▸ ABHD6 Q9BV23 5/20 0.43
▸ ADORA1 P30542 2/20 0.41
▸ MAPT P10636 2/20 0.39
▸ ESR1 P03372 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MKNK1 Q9BUB5 2/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ STS P08842 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36
▸ RORC P51449 1/20 0.36

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
SCHEMBL30156710 1.00 ESR2 (0.46) ESR2NR1H2ABHD6ADORA1MAPT
SCHEMBL17463408 0.89 ESR2 (0.46) ESR2NR1H2ABHD6ADORA1MAPT
SCHEMBL15502993 0.89 ESR2 (0.48) ESR2NR1H2ABHD6ADORA1MAPT
SCHEMBL15506323 0.87 ESR2 (0.46) ESR2NR1H2ABHD6ADORA1MAPT
SCHEMBL29168627 0.86 ABHD6 (0.42) ESR2ABHD6MAPTESR1KDM4E
SCHEMBL31013875 0.86 ESR2 (0.52) ESR2NR1H2ABHD6ADORA1MAPT
SCHEMBL15506349 0.86 ESR2 (0.46) ESR2NR1H2ABHD6ADORA1MAPT
SCHEMBL15506351 0.85 ESR2 (0.45) ESR2NR1H2ABHD6ADORA1MAPT
SCHEMBL31014016 0.83 ESR2 (0.49) ESR2NR1H2ABHD6ADORA1MAPT
SCHEMBL17463403 0.82 ESR2 (0.43) ESR2NR1H2ADORA1STSGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4651955-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2025-11-26 — — EP disclosed
WO-2024153947-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2024-07-25 — — WO disclosed
CN-117693507-A Inhibitor compounds 奈奥芬莱有限公司 2024-03-12 — — CN disclosed
WO-2016014463-A1 HETEROCYCLIC CARBOXYLIC ACIDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 — — WO disclosed
Send feedback