SCHEMBL23536606

SCHEMBL23536606

Cc1nn(C)c(N2CCN(c3ccc(Cl)cc3F)CC2)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
DRD4 P21917 1/20 0.44
GRM2 Q14416 1/20 0.44
PHGDH O43175 1/20 0.43
ADORA2A P29274 1/20 0.41
ALDH1A1 P00352 3/20 0.40
GRM5 P41594 1/20 0.38
LMNA P02545 3/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
GFER P55789 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PROKR1 Q8TCW9 3/20 0.37
FPR2 P25090 2/20 0.37
AXL P30530 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
HTR3A P46098 1/20 0.36

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
SCHEMBL29932044 1.00 POLB (0.45) POLBDRD4GRM2PHGDHADORA2A
SCHEMBL23536271 0.80 RPS6KB1 (0.45) POLBDRD4GRM2PHGDHALDH1A1
SCHEMBL29932053 0.80 RPS6KB1 (0.45) POLBDRD4GRM2PHGDHALDH1A1
SCHEMBL23536198 0.77 GRM2 (0.40) POLBDRD4GRM2PHGDHADORA2A
SCHEMBL29931958 0.77 DRD4 (0.38) POLBDRD4GRM2PHGDHADORA2A
SCHEMBL23536237 0.77 DRD4 (0.38) POLBDRD4GRM2PHGDHADORA2A
SCHEMBL29931770 0.76 DRD4 (0.47) POLBDRD4GRM2PHGDHADORA2A
SCHEMBL23536253 0.76 DRD4 (0.47) POLBDRD4GRM2PHGDHADORA2A
SCHEMBL23536434 0.76 DRD4 (0.47) POLBDRD4GRM2PHGDHADORA2A
SCHEMBL29931887 0.76 DRD4 (0.47) POLBDRD4GRM2PHGDHADORA2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115087440-A TRPML modulators 卡斯玛治疗公司 2022-09-20 CN disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed