SCHEMBL29932183

SCHEMBL29932183

C[C@@H]1CN(CC2CCN(c3c(F)cccc3NS(=O)(=O)c3ccc(S(=O)(=O)N4CCC4)cc3)CC2)C[C@H](C)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
OPRK1 P41145 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MCOLN2 Q8IZK6 1/20 0.38
HTR1A P08908 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL23536204 1.00 ALDH1A1 (0.41) ALDH1A1L3MBTL1USP2ALOX15OPRK1
SCHEMBL23555092 0.90 MCOLN2 (0.36) L3MBTL1LMNAKDM4EMAPTPOLB
SCHEMBL29932095 0.90 LMNA (0.40) ALDH1A1L3MBTL1LMNAKDM4EMAPT
SCHEMBL28867394 0.90 ALDH1A1 (0.38) ALDH1A1L3MBTL1LMNAKDM4EPOLB
SCHEMBL29932066 0.90 ALDH1A1 (0.38) ALDH1A1L3MBTL1LMNAKDM4EPOLB
SCHEMBL28867429 0.89 MCOLN2 (0.34) ALDH1A1L3MBTL1LMNAKDM4EPOLB
SCHEMBL23536230 0.88 MCOLN2 (0.39) ALDH1A1L3MBTL1HTTLMNAKDM4E
SCHEMBL23536479 0.88 MCOLN2 (0.48) ALDH1A1L3MBTL1HTTLMNAKDM4E
SCHEMBL23536384 0.86 CRHBP (0.34) ALDH1A1LMNAKMT2AMCOLN2HTR1A
SCHEMBL23555120 0.86 MCOLN2 (0.37) L3MBTL1POLBKMT2AMEN1MCOLN2

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