SCHEMBL23536131

SCHEMBL23536131

Nc1ccccc1N1CCC(C(=O)N2CCOCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
HTT P42858 2/20 0.54
MAPT P10636 3/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
AKR1C3 P42330 2/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
HPGDS O60760 1/20 0.49
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TSHR P16473 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL3102068 0.84 TSHR (0.67) ALDH1A1SMN1; SMN2HTTMAPTCYP2C9
SCHEMBL3103891 0.82 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HTTMAPTCYP2C9
SCHEMBL23536213 0.81 KMT2A (0.56) ALDH1A1SMN1; SMN2MAPTMEN1USP2
SCHEMBL23536206 0.81 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2HTTMAPTCYP2C9
SCHEMBL29931977 0.81 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2HTTMAPTCYP2C9
SCHEMBL3099706 0.79 MAPT (0.76) ALDH1A1SMN1; SMN2MAPTAKR1C3MEN1
SCHEMBL14320652 0.79 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2HTTMAPTCYP2C9
SCHEMBL27747851 0.79 HTT (0.52) ALDH1A1SMN1; SMN2HTTMAPTCYP2C9
SCHEMBL2077582 0.78 GAA (0.60) ALDH1A1SMN1; SMN2MAPTMEN1USP2
SCHEMBL2559578 0.78 KMT2A (0.60) MAPTCYP2C19MEN1USP2GAA

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