SCHEMBL25154352

SCHEMBL25154352

O=C(O)C[C@H]1CNCCN1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
CA9 Q16790 2/20 0.46
SIGMAR1 Q99720 1/20 0.45
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2C19 P33261 1/20 0.43
MITF O75030 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 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
SCHEMBL21315843 0.88 RORC (0.47) SLC6A4ALDH1A1TSHRKMT2AMEN1
SCHEMBL21315844 0.88 RORC (0.47) SLC6A4ALDH1A1TSHRKMT2AMEN1
SCHEMBL2080509 0.84 SIGMAR1 (0.53) SLC6A2SLC6A4SLC6A3CA1CA2
SCHEMBL8101234 0.84 SIGMAR1 (0.53) SLC6A2SLC6A4SLC6A3CA1CA2
SCHEMBL1738860 0.84 SIGMAR1 (0.53) SLC6A2SLC6A4SLC6A3CA1CA2
SCHEMBL6936570 0.82 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3CA1CA2
SCHEMBL1415727 0.82 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3CA1CA2
SCHEMBL27505917 0.82 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3CA1CA2
SCHEMBL3948948 0.81 SIGMAR1 (0.54) SLC6A2SLC6A4SLC6A3CA1CA2
SCHEMBL23496876 0.81 SIGMAR1 (0.54) SLC6A2SLC6A4SLC6A3CA1CA2

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-2023064768-A1 G-PROTEIN-COUPLED RECEPTOR REGULATORS AND METHODS OF USE THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2023-04-20 WO disclosed