SCHEMBL23536198

SCHEMBL23536198

Cc1nn(C)c(N)c1C1CCN(c2ccc(Cl)cc2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.40
DRD4 P21917 1/20 0.40
PROKR1 Q8TCW9 3/20 0.39
FPR2 P25090 2/20 0.39
POLB P06746 1/20 0.39
PHGDH O43175 1/20 0.39
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
ADORA2A P29274 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HTR3A P46098 1/20 0.34
HRH4 Q9H3N8 1/20 0.34

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
SCHEMBL29932021 0.82 PROKR1 (0.39) GRM2DRD4PROKR1FPR2PHGDH
SCHEMBL23536493 0.81 PHGDH (0.42) PROKR1FPR2POLBPHGDHHTT
SCHEMBL29932124 0.81 PHGDH (0.42) PROKR1FPR2POLBPHGDHHTT
SCHEMBL23536504 0.79 DRD4 (0.42) GRM2DRD4POLBPHGDHDPP4
SCHEMBL29931890 0.79 DRD4 (0.42) GRM2DRD4POLBPHGDHDPP4
SCHEMBL23536606 0.77 POLB (0.45) GRM2DRD4PROKR1FPR2POLB
SCHEMBL29932044 0.77 POLB (0.45) GRM2DRD4PROKR1FPR2POLB
SCHEMBL30232543 0.73 PHGDH (0.40) GRM2DRD4PHGDHDPP4DPP8
SCHEMBL30232821 0.73 PHGDH (0.40) GRM2DRD4PROKR1FPR2PHGDH
SCHEMBL23536333 0.72 SSTR2 (0.45) GRM2DRD4POLBPHGDHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed
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
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed