SCHEMBL7429357

SCHEMBL7429357

CN(CCCCSc1ccc(F)cc1)CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.56
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
SLC6A3 Q01959 2/20 0.49
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
UBE2N P61088 1/20 0.43
KMT2A Q03164 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
FDPS P14324 1/20 0.42

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
SCHEMBL7432683 0.99 SIGMAR1 (0.59) SIGMAR1SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL7438989 0.99 SIGMAR1 (0.59) SIGMAR1SLC6A2SLC6A4SLC6A3KDM4E
Hydrochloric Acid SCHEMBL7430264 0.99 SIGMAR1 (0.55) SIGMAR1SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL7435436 0.96 SIGMAR1 (0.54) SIGMAR1SLC6A2SLC6A4SLC6A3KDM4E
Hydrochloric Acid SCHEMBL7431292 0.94 SIGMAR1 (0.53) SIGMAR1SLC6A2SLC6A4SLC6A3KDM4E
Oxalic Acid SCHEMBL7445453 0.93 SIGMAR1 (0.52) SIGMAR1SLC6A2SLC6A4SLC6A3KDM4E
Oxalic Acid SCHEMBL7431270 0.93 SIGMAR1 (0.52) SIGMAR1SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL7429750 0.90 SIGMAR1 (0.55) SIGMAR1SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL7432021 0.90 SLC6A2 (0.52) SIGMAR1SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL7433683 0.90 SIGMAR1 (0.65) SIGMAR1SLC6A2SLC6A4SLC6A3TAAR1

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
EP-0559569-A1 Central nervous system antiischemic agents Bristol-Myers Squibb Company (US) 1993-09-08 EP claimed