SCHEMBL30646807

SCHEMBL30646807

COc1ccc([C@H]2C[C@H](CC(=O)O)CN(Cc3ccc(C(F)(F)F)cc3)C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PRKAA2 P54646 7/20 0.47
PRKAB2 O43741 6/20 0.47
PRKAG1 P54619 6/20 0.47
PRKAA1 Q13131 6/20 0.47
PRKAG3 Q9UGI9 6/20 0.47
PRKAG2 Q9UGJ0 6/20 0.47
PRKAB1 Q9Y478 6/20 0.47
PIK3CA P42336 1/20 0.46
HRH3 Q9Y5N1 1/20 0.43
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
CHRM4 P08173 1/20 0.42
PDGFRA P16234 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR5 Q9H228 1/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL30646806 1.00 MEN1 (0.48) MEN1KMT2APRKAA2PRKAB2PRKAG1
SCHEMBL29087736 0.92 CHRM2 (0.46) S1PR1S1PR5KCNH2
SCHEMBL29617639 0.92 CHRM2 (0.46) S1PR1S1PR5KCNH2
SCHEMBL29087738 0.92 CHRM2 (0.46) S1PR1S1PR5KCNH2
SCHEMBL29087709 0.91 PRKAA2 (0.48) MEN1KMT2APRKAA2PRKAB2PRKAG1
SCHEMBL29617624 0.91 PRKAA2 (0.48) MEN1KMT2APRKAA2PRKAB2PRKAG1
SCHEMBL30646808 0.88 CCR2 (0.45) MEN1KMT2APDGFRAS1PR1S1PR5
SCHEMBL29087762 0.87 TACR1 (0.44) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL29087735 0.87 PSEN1 (0.48) S1PR1S1PR5
SCHEMBL29087678 0.87 CHRM2 (0.52) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3

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