SCHEMBL30646804

SCHEMBL30646804

O=C(O)C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)CN(Cc2ccc(F)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.44
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
FAAH O00519 1/20 0.42
S1PR5 Q9H228 3/20 0.41
S1PR1 P21453 1/20 0.41
GRK5 P34947 1/20 0.41
CDK8 P49336 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL29087765 1.00 TACR1 (0.44) TACR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL29087762 1.00 TACR1 (0.44) TACR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL29087738 0.95 CHRM2 (0.46) CHRM2CHRM5CHRM1CHRM3HIF1A
SCHEMBL29087736 0.95 CHRM2 (0.46) CHRM2CHRM5CHRM1CHRM3HIF1A
SCHEMBL29617639 0.95 CHRM2 (0.46) CHRM2CHRM5CHRM1CHRM3HIF1A
SCHEMBL29087735 0.91 PSEN1 (0.48) CHRM2CHRM5CHRM1CHRM3HIF1A
SCHEMBL30646794 0.91 PSEN1 (0.48) CHRM2CHRM5CHRM1CHRM3HIF1A
SCHEMBL29087732 0.91 PSEN1 (0.48) CHRM2CHRM5CHRM1CHRM3HIF1A
SCHEMBL29087681 0.91 CHRM2 (0.52) TACR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL29087678 0.91 CHRM2 (0.52) TACR1PRKAB2PRKAG1PRKAA2PRKAA1

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
CN-116710431-A Small molecule compounds and compositions 泰洛治疗公司 2023-09-05 CN disclosed