SCHEMBL23536596

SCHEMBL23536596

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SMN1; SMN2 Q16637 2/20 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 6/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CCR1 P32246 1/20 0.34
GBA1 P04062 2/20 0.34
NR3C1 P04150 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 1/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 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
SCHEMBL23536661 0.84 SMN1; SMN2 (0.46) SLC6A3SMN1; SMN2LMNATP53GAA
SCHEMBL23536619 0.82 TP53 (0.34) SMN1; SMN2LMNATP53GAAHTT
SCHEMBL23536667 0.82 LMNA (0.34) SLC6A4SLC6A3SMN1; SMN2LMNATP53
SCHEMBL23536682 0.78 HTR6 (0.34) LMNAGAAHTR6CYP2D6GBA1
SCHEMBL23536524 0.77 SMN1; SMN2 (0.36) SMN1; SMN2LMNATP53GAAHTT
SCHEMBL23536839 0.77 HSD17B10 (0.39) SMN1; SMN2LMNAHTR6CYP3A4CYP2D6
SCHEMBL23536635 0.76 HSD17B10 (0.48) LMNAGAAHTTHTR6KMT2A
SCHEMBL23536585 0.76 LMNA (0.34) SMN1; SMN2LMNATP53GAAHTT
SCHEMBL23536533 0.75 HTR6 (0.40) SLC6A2SLC6A3LMNAHTR6GBA1
SCHEMBL23536666 0.74 GPR119 (0.34) SMN1; SMN2HTR6CYP3A4CYP2D6KMT2A

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