SCHEMBL23600202

SCHEMBL23600202

C[C@@H]1C[C@H](O)[C@@H](C)C(O)N1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
FUCA1 P04066 2/20 0.45
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
ACHE P22303 1/20 0.41
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
GBA1 P04062 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BRD4 O60885 2/20 0.38

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
SCHEMBL20797832 0.80 CHRM2 (0.55) MAPTFUCA1CHRM2CHRM4CHRM5
SCHEMBL20811168 0.80 CHRM2 (0.55) MAPTFUCA1CHRM2CHRM4CHRM5
SCHEMBL5745796 0.76 MAPT (0.47) MAPTFUCA1CHRM2CHRM4CHRM5
SCHEMBL20046302 0.75 MAPT (0.47) MAPTFUCA1CHRM2CHRM4CHRM5
SCHEMBL6204675 0.75 MAPT (0.47) MAPTFUCA1CHRM2CHRM4CHRM5
SCHEMBL27969697 0.75 MAPT (0.51) MAPTFUCA1CHRM2CHRM4CHRM5
SCHEMBL20046647 0.75 MAPT (0.47) MAPTFUCA1CHRM2CHRM4CHRM5
SCHEMBL28192033 0.74 CHRM2 (0.49) MAPTFUCA1CHRM2CHRM4CHRM5
SCHEMBL27451598 0.74 CHRM2 (0.49) MAPTFUCA1CHRM2CHRM4CHRM5
SCHEMBL7301476 0.74 CHRM2 (0.49) MAPTFUCA1CHRM2CHRM4CHRM5

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-2021133750-A1 SUBSTITUTED BICYCLIC PIPERIDINE DERIVATIVES USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-01 WO disclosed