SCHEMBL23536661

SCHEMBL23536661

CN(C)C(=O)C1(c2ccc(F)cc2)CCN(c2nn(S(=O)(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c3ccccc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
TSHR P16473 1/20 0.46
DRD3 P35462 1/20 0.37
CCR1 P32246 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
HTR6 P50406 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 1/20 0.35
PTGDR2 Q9Y5Y4 9/20 0.35
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
GBA1 P04062 1/20 0.34
PTGDR Q13258 4/20 0.33
TBXA2R P21731 3/20 0.33
CYP2C19 P33261 1/20 0.33
CYP2C9 P11712 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
SCHEMBL23536596 0.84 SLC6A2 (0.39) SMN1; SMN2TSHRCCR1LMNATP53
SCHEMBL23536585 0.82 LMNA (0.34) SMN1; SMN2CCR1LMNATP53GAA
SCHEMBL23536772 0.79 LMNA (0.39) SMN1; SMN2LMNATP53CYP3A4GBA1
SCHEMBL23536619 0.78 TP53 (0.34) SMN1; SMN2CCR1LMNATP53GAA
SCHEMBL23536524 0.77 SMN1; SMN2 (0.36) SMN1; SMN2TSHRLMNATP53GAA
SCHEMBL23536839 0.77 HSD17B10 (0.39) SMN1; SMN2TSHRLMNAHTR6CYP3A4
SCHEMBL23536667 0.76 LMNA (0.34) SMN1; SMN2CCR1LMNATP53GAA
SCHEMBL23536635 0.76 HSD17B10 (0.48) TSHRLMNAGAAHTTHTR6
SCHEMBL23536682 0.75 HTR6 (0.34) LMNAGAAHTR6CYP2D6PTGDR2
SCHEMBL23536533 0.74 HTR6 (0.40) DRD3LMNAHTR6MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed