SCHEMBL25935807

SCHEMBL25935807

CP(C)(=O)c1ccc(CC2CCNCC2)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 1/20 0.46
SLC6A4 P31645 17/20 0.46
SLC6A2 P23975 16/20 0.46
SLC6A3 Q01959 2/20 0.45
CACNA1H O95180 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL25146251 0.83 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3
SCHEMBL31532451 0.81 SLC6A4 (0.34) DDR1SLC6A4SLC6A2SLC6A3
SCHEMBL1780813 0.81 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3CACNA1H
SCHEMBL23159181 0.78 CACNA1H (0.53) DDR1SLC6A4SLC6A2SLC6A3CACNA1H
Formic Acid SCHEMBL23148949 0.74 CACNA1H (0.47) DDR1SLC6A4SLC6A2SLC6A3CACNA1H
Formic Acid SCHEMBL29616568 0.74 CACNA1H (0.47) DDR1SLC6A4SLC6A2SLC6A3CACNA1H
SCHEMBL24192967 0.74 SLC6A4 (0.44) DDR1SLC6A4SLC6A2SLC6A3CACNA1H
SCHEMBL28037159 0.74 CACNA1H (0.43) DDR1SLC6A4SLC6A2SLC6A3CACNA1H
SCHEMBL1817160 0.73 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3
SCHEMBL26699658 0.73 IDO1 (0.39) SLC6A4SLC6A2SLC6A3EPHX2

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-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 WO disclosed