SCHEMBL29772863

SCHEMBL29772863

CN(c1ccccc1NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C1CCN(C(=O)Oc2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 6/20 0.52
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
GAA P10253 1/20 0.41
MCOLN2 Q8IZK6 1/20 0.39
USP30 Q70CQ3 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
KMT2A Q03164 1/20 0.38
CCR5 P51681 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
LIMK2 P53671 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB3 P13945 1/20 0.37
TSPO P30536 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
GPR65 Q8IYL9 1/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL24628372 1.00 NPY2R (0.52) NPY2RSMN1; SMN2MAPTGAAMCOLN2
SCHEMBL29772899 0.88 LIMK2 (0.48) NPY2RUSP30GPR119LIMK2
SCHEMBL24628229 0.88 LIMK2 (0.48) NPY2RUSP30GPR119LIMK2
SCHEMBL29772864 0.86 MCOLN2 (0.42) NPY2RMAPTGAAMCOLN2KMT2A
SCHEMBL24628795 0.86 MCOLN2 (0.42) NPY2RMAPTGAAMCOLN2KMT2A
SCHEMBL30936639 0.82 LIMK2 (0.51) NPY2RGPR119LIMK2
SCHEMBL24628788 0.81 MCOLN2 (0.46) GAAMCOLN2KMT2ACCR5ALDH1A1
SCHEMBL29772916 0.80 SCN8A (0.52) MCOLN2LMNAKDM4EALDH1A1HPGD
SCHEMBL30936612 0.79 HTR2A (0.50) GAAMCOLN2KMT2AALDH1A1
SCHEMBL31720603 0.77 MCOLN2 (0.49) SMN1; SMN2MAPTMCOLN2KMT2ALMNA

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-2022150461-A1 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE CARAWAY THERAPEUTICS, INC. (US) 2022-07-14 WO disclosed