SCHEMBL23536167

SCHEMBL23536167

C[C@@H]1CC(OC2CCN(c3c(N)cccc3F)CC2)C[C@H](C)O1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH4 Q9H3N8 1/20 0.30
FFAR1 O14842 1/20 0.30
AOC3 Q16853 1/20 0.30

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
SCHEMBL23536183 0.81 ALDH1A1 (0.39) MEN1GAAKMT2A
SCHEMBL23535973 0.75 CYP2A13 (0.34) MEN1USP2GAAKMT2AHRH4
SCHEMBL23536058 0.75 CYP2A13 (0.34) MEN1USP2GAAKMT2AHRH4
SCHEMBL28867487 0.74 MEN1 (0.33) MEN1USP2GAAKMT2AHRH4
SCHEMBL23536077 0.73 BPTF (0.35) USP2GAA
SCHEMBL29932019 0.72 MCOLN2 (0.49) KMT2A
SCHEMBL14804508 0.71 BPTF (0.38) MEN1USP2GAAKMT2A
SCHEMBL14804532 0.71 OPRL1 (0.39) MEN1USP2GAAKMT2AHRH4
SCHEMBL30667343 0.69 KEAP1 (0.47) MEN1USP2GAAKMT2A
SCHEMBL12070271 0.68 MAPT (0.46) MEN1GAAKMT2A

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 3 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