SCHEMBL31570541

SCHEMBL31570541

COC1(c2nccc(N)c2F)CCC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
OPRM1 P35372 1/20 0.30
EHMT2 Q96KQ7 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
SCHEMBL31570513 0.78 KDM4E (0.33) KDM4EHTTHSD17B10
SCHEMBL31570610 0.74 ALOX5AP (0.31)
SCHEMBL27142188 0.68 ALOX5 (0.36) KDM4EHTTHSD17B10OPRM1
SCHEMBL3380754 0.66 AURKA (0.44) KDM4E
SCHEMBL3350654 0.66
SCHEMBL30431320 0.66
Hydrochloric Acid SCHEMBL28676638 0.64 NOS2 (0.37) KDM4E
SCHEMBL16377396 0.61 ALDH1A1 (0.47) KDM4EHTTHSD17B10OPRM1
SCHEMBL27907651 0.61 OPRM1 (0.38) KDM4EHTTHSD17B10OPRM1
SCHEMBL30614571 0.61

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-2025099451-A1 NEW COMPOUNDS AND METHODS Transition Bio Limited (GB) 2025-05-15 WO disclosed