SCHEMBL23536222

SCHEMBL23536222

Nc1ccccc1N1CCC2(CC1)OCCO2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 1/20 0.58
KEAP1 Q14145 1/20 0.55
ADRA2C P18825 1/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
GAA P10253 2/20 0.49
USP2 O75604 1/20 0.49
POLB P06746 1/20 0.44
ALDH1A1 P00352 5/20 0.41
PTPN11 Q06124 1/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 3/20 0.39
TSHR P16473 2/20 0.39
HTT P42858 1/20 0.39
HIF1A Q16665 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38

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
Hydrochloric Acid SCHEMBL6074396 0.98 LGMN (0.57) LGMNKEAP1ADRA2CKMT2AMEN1
SCHEMBL14804198 0.81 ADRB1 (0.50) LGMNKMT2AMEN1POLBALDH1A1
SCHEMBL14336963 0.79 ALDH1A1 (0.45) LGMNKMT2AMEN1GAAPOLB
SCHEMBL22053011 0.79 LGMN (0.44) LGMNKMT2AMEN1GAAPOLB
SCHEMBL14117670 0.79 ADRB1 (0.51) LGMNKMT2AMEN1POLBALDH1A1
SCHEMBL23043597 0.78 KEAP1 (0.62) LGMNKEAP1ADRA2CKMT2AMEN1
SCHEMBL6132755 0.78 ADRB1 (0.51) ALDH1A1LMNAKDM4ETSHRHSD17B10
SCHEMBL4555529 0.78 LGMN (0.50) LGMNKMT2APOLBALDH1A1PTPN11
SCHEMBL10481994 0.77 SLC6A2 (0.43) LGMNKMT2APOLBALDH1A1LMNA
SCHEMBL23152040 0.77 ADRA2C (0.79) LGMNKEAP1ADRA2CKMT2AMEN1

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