SCHEMBL23536155

SCHEMBL23536155

OC[C@H](c1ccc(Br)cc1)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
FFAR1 O14842 1/20 0.41
POLB P06746 1/20 0.36
SLC18A3 Q16572 2/20 0.36
FPR2 P25090 1/20 0.34
PROKR1 Q8TCW9 1/20 0.34
HTR2A P28223 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HSD11B1 P28845 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL17609123 1.00 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3FFAR1POLB
SCHEMBL9966337 0.92 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3FFAR1POLB
SCHEMBL6907975 0.80 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3FFAR1FPR2
SCHEMBL7705768 0.80 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3FFAR1FPR2
SCHEMBL17892084 0.80 HTR2A (0.47) SLC6A2SLC6A4SLC6A3FFAR1POLB
SCHEMBL6917685 0.80 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3FFAR1FPR2
SCHEMBL16979039 0.80 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3FFAR1FPR2
SCHEMBL17892086 0.80 HTR2A (0.47) SLC6A2SLC6A4SLC6A3FFAR1POLB
SCHEMBL14014890 0.80 ALDH1A1 (0.47) POLBFPR2PROKR1
SCHEMBL25324799 0.79 FFAR1 (0.51) SLC6A2SLC6A4SLC6A3FFAR1

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-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed