SCHEMBL31207461

SCHEMBL31207461

Fc1cc(COc2ccc(OC3CCCC3)cn2)c(Cl)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.36
ACACA Q13085 1/20 0.35
SCN9A Q15858 6/20 0.33
CHRM4 P08173 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
KDM1A O60341 2/20 0.32
KDM1B Q8NB78 2/20 0.32
RET P07949 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
HTR2A P28223 3/20 0.32
HTR2C P28335 3/20 0.32
SLC6A4 P31645 3/20 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
SCHEMBL31207449 0.83 SCN9A (0.43) ACACBACACASCN9AFFAR4PTGS1
SCHEMBL31207397 0.81 FFAR4 (0.40) SCN9AFFAR4KDM1AKDM1B
SCHEMBL31207389 0.81 SCN9A (0.46) ACACBACACASCN9A
SCHEMBL31207382 0.79 EPHX2 (0.39) SCN9A
SCHEMBL31207401 0.79 GRM5 (0.38)
SCHEMBL15536664 0.73 SCN9A (0.54) SCN9AKDM1AKDM1B
SCHEMBL363646 0.69 SCN9A (0.51) SCN9AHTR2ASLC6A4
SCHEMBL1547720 0.68 CHRNA3 (0.49) CHRM4
SCHEMBL31207456 0.68 RXRA (0.40) KDM1AKDM1B
SCHEMBL31207421 0.68 NR4A2 (0.40) SCN9AFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4702021-A1 COMPOUNDS CAPABLE OF MODULATING GPR65 Pathios Therapeutics Limited (GB) 2026-03-04 EP disclosed
WO-2024224064-A1 COMPOUNDS CAPABLE OF MODULATING GPR65 Pathios Therapeutics Limited (GB) 2024-10-31 WO disclosed