SCHEMBL31435258

SCHEMBL31435258

CC1CC(C(=O)Nc2cccc(C(F)(F)F)n2)CCN1Cc1noc(-c2ccc(F)c(C(F)(F)F)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 13/20 0.46
GSK3B P49841 1/20 0.39
MAPK14 Q16539 1/20 0.39
S1PR1 P21453 2/20 0.36
GRM5 P41594 1/20 0.36
CFD P00746 1/20 0.35
ACHE P22303 2/20 0.35

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
SCHEMBL31435230 1.00 ACKR3 (0.46) ACKR3GSK3BMAPK14S1PR1GRM5
SCHEMBL31435267 0.88 GSK3B (0.43) ACKR3GSK3BMAPK14S1PR1ACHE
SCHEMBL31435228 0.88 GSK3B (0.43) ACKR3GSK3BMAPK14S1PR1ACHE
SCHEMBL31435222 0.87 UBE2M (0.46) ACKR3
SCHEMBL31435225 0.87 UBE2M (0.46) ACKR3
SCHEMBL31435231 0.87 UBE2M (0.46) ACKR3
SCHEMBL31435223 0.86 ACKR3 (0.42) ACKR3GSK3BMAPK14S1PR1
SCHEMBL31435264 0.86 ACKR3 (0.42) ACKR3GSK3BMAPK14S1PR1
SCHEMBL31435253 0.84 S1PR1 (0.46) S1PR1
SCHEMBL31435263 0.84 S1PR1 (0.46) S1PR1

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
WO-2025090928-A1 COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISEASES AQUINNAH PHARMACEUTICALS, INC. (US) 2025-05-01 WO disclosed