SCHEMBL23536178

SCHEMBL23536178

C[C@H]1COC[C@H](C)N1CC1CCN(c2c(N)cccc2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
BPTF Q12830 1/20 0.32
ADORA2A P29274 1/20 0.31
C5AR1 P21730 1/20 0.31
TRPA1 O75762 1/20 0.30
MC4R P32245 1/20 0.30
HTR6 P50406 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL23536005 1.00 MEN1 (0.33) MEN1USP2GAAKMT2ABPTF
SCHEMBL23536158 0.86 GRM2 (0.32) BPTFC5AR1TRPA1
SCHEMBL29931942 0.86 GRM2 (0.32) BPTFC5AR1TRPA1
SCHEMBL29932072 0.81 ALDH1A1 (0.40) MEN1GAAKMT2A
SCHEMBL29932032 0.81 ALDH1A1 (0.40) MEN1GAAKMT2A
SCHEMBL23536037 0.81 ALDH1A1 (0.40) MEN1GAAKMT2A
SCHEMBL23536151 0.81 ALDH1A1 (0.40) MEN1GAAKMT2A
SCHEMBL23536058 0.79 CYP2A13 (0.34) MEN1USP2GAAKMT2ABPTF
SCHEMBL23535973 0.79 CYP2A13 (0.34) MEN1USP2GAAKMT2ABPTF
SCHEMBL14804508 0.78 BPTF (0.38) MEN1USP2GAAKMT2ABPTF

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