SCHEMBL23536237

SCHEMBL23536237

Cc1nn(C)c(C2=CCN(c3ccc(Cl)cc3F)CC2)c1N

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.38
GRM2 Q14416 1/20 0.38
PHGDH O43175 1/20 0.37
PROKR1 Q8TCW9 4/20 0.36
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
FPR2 P25090 3/20 0.34
ADORA2A P29274 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
HTR6 P50406 2/20 0.33
DRD2 P14416 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD1 P21728 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL29931958 1.00 DRD4 (0.38) DRD4GRM2PHGDHPROKR1POLB
SCHEMBL23536369 0.83 ALDH1A1 (0.38) DRD4GRM2PHGDHPROKR1ALDH1A1
SCHEMBL29932049 0.79 PHGDH (0.39) DRD4GRM2PHGDHPROKR1TRPV1
SCHEMBL23536190 0.79 PHGDH (0.39) DRD4GRM2PHGDHPROKR1TRPV1
SCHEMBL29932026 0.78 SIGMAR1 (0.36) DRD4GRM2PHGDHPROKR1FPR2
SCHEMBL23536606 0.77 POLB (0.45) DRD4GRM2PHGDHPROKR1POLB
SCHEMBL29932044 0.77 POLB (0.45) DRD4GRM2PHGDHPROKR1POLB
SCHEMBL29932109 0.76 MAPT (0.37) PROKR1ALDH1A1HTR6DRD2
SCHEMBL29931836 0.74 GAA (0.34) DRD4GRM2PROKR1ALDH1A1FPR2
SCHEMBL23536396 0.74 ALDH1A1 (0.39) DRD4GRM2POLBALDH1A1TRPV1

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-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed