SCHEMBL24945787

SCHEMBL24945787

C[C@@H]1CN(c2ncc(S(C)(=O)=O)cn2)[C@@H](C)CN1C(=O)OC1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.52
PRKAA2 P54646 2/20 0.44
CHRM2 P08172 2/20 0.43
CHRM1 P11229 1/20 0.43
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
CCR1 P32246 1/20 0.40
CHRM4 P08173 2/20 0.40
ADRB2 P07550 1/20 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
SCHEMBL24945738 0.93 GPR119 (0.52) GPR119PRKAA2CHRM2CHRM1CCR1
SCHEMBL24945784 0.92 GPR119 (0.51) GPR119CHRM2CHRM1CHRM4
SCHEMBL23744134 0.88 GPR119 (0.55) GPR119CHRM2CHRM1CHRM4
SCHEMBL31492280 0.88 GPR119 (0.49) GPR119PRKAA2CHRM2CHRM1CCR1
SCHEMBL23744180 0.87 CHRM2 (0.57) GPR119PRKAA2CHRM2CHRM1CHRM4
SCHEMBL23744603 0.86 CHRM2 (0.55) PRKAA2CHRM2CHRM1PRKAB2PRKAG1
SCHEMBL23744619 0.86 CHRM4 (0.53) CHRM2CHRM1CHRM4
SCHEMBL24945628 0.84 GPR119 (0.44) GPR119CHRM2CHRM1CHRM4
SCHEMBL24945611 0.84 GPR119 (0.42) GPR119CHRM2CHRM1CHRM4
SCHEMBL24945613 0.84 HTR2A (0.45) GPR119CHRM2CHRM1CHRM4

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-2023010078-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2023-02-02 WO disclosed