SCHEMBL23536392

SCHEMBL23536392

Cc1ccc(SCc2ccccc2N2CCC(c3ccc(Cl)cc3F)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.38
GRM2 Q14416 8/20 0.37
MAPT P10636 4/20 0.36
POLB P06746 2/20 0.36
TP53 P04637 1/20 0.36
DRD4 P21917 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP3A4 P08684 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL29932148 1.00 OPRL1 (0.38) OPRL1GRM2MAPTPOLBTP53
SCHEMBL29932103 0.85 TSHR (0.38) OPRL1GRM2MAPTTP53KMT2A
SCHEMBL23536136 0.85 TSHR (0.38) OPRL1GRM2MAPTTP53KMT2A
SCHEMBL21261310 0.85 MAPT (0.47) GRM2MAPTPOLBTP53DRD4
SCHEMBL29932033 0.83 MAPT (0.34) OPRL1MAPTPOLBTP53MEN1
SCHEMBL23536205 0.82 HTR1A (0.51) CYP3A4
SCHEMBL29932303 0.82 HTR1A (0.51) CYP3A4
SCHEMBL23536030 0.81 GRM2 (0.43) OPRL1GRM2KMT2AGPBAR1
SCHEMBL23536165 0.80 TSHR (0.43) OPRL1GRM2MAPTPOLBTP53
SCHEMBL23536038 0.80 OPRL1 (0.37) OPRL1GRM2DRD4MEN1KMT2A

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