SCHEMBL29932124

SCHEMBL29932124

CC(=O)Nc1c(C2CCN(c3ccc(Cl)cc3F)CC2)c(C)nn1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.42
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MCHR1 Q99705 2/20 0.39
POLB P06746 1/20 0.39
HTT P42858 2/20 0.38
FPR2 P25090 4/20 0.38
PROKR1 Q8TCW9 2/20 0.38
FPR1 P21462 2/20 0.38
GRM5 P41594 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACACB O00763 1/20 0.37
SLC9A1 P19634 1/20 0.37
GAA P10253 1/20 0.36
PDE7A Q13946 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
SCHEMBL23536493 1.00 PHGDH (0.42) PHGDHKMT2AMEN1MCHR1POLB
SCHEMBL29932021 0.81 PROKR1 (0.39) PHGDHHTTFPR2PROKR1GRM5
SCHEMBL23536198 0.81 GRM2 (0.40) PHGDHPOLBHTTFPR2PROKR1
SCHEMBL29932049 0.79 PHGDH (0.39) PHGDHKMT2AMEN1HTTPROKR1
SCHEMBL23536190 0.79 PHGDH (0.39) PHGDHKMT2AMEN1HTTPROKR1
SCHEMBL29931746 0.77 ALDH1A1 (0.40) KMT2AMEN1HTTFPR2PROKR1
SCHEMBL23536504 0.70 DRD4 (0.42) PHGDHPOLBHTTGRM5LMNA
SCHEMBL29931890 0.70 DRD4 (0.42) PHGDHPOLBHTTGRM5LMNA
SCHEMBL23536360 0.69 NOTUM (0.63) KMT2AHTTLMNA
SCHEMBL29932011 0.69 NOTUM (0.63) KMT2AHTTLMNA

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
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