SCHEMBL31065853

SCHEMBL31065853

Nc1ccc(CN2CCC(NC(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.70
TGM2 P21980 1/20 0.64
TSHR P16473 1/20 0.59
ALDH1A1 P00352 1/20 0.58
GAA P10253 1/20 0.58
CTSL P07711 1/20 0.57
CTSB P07858 1/20 0.57
CTSK P43235 1/20 0.57
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
TMEM97 Q5BJF2 1/20 0.56
DRD4 P21917 2/20 0.56
DRD2 P14416 1/20 0.56
DRD3 P35462 1/20 0.56
EPHX1 P07099 1/20 0.56
POLB P06746 1/20 0.56

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
SCHEMBL5122686 0.94 TGM2 (0.67) SIGMAR1TGM2TSHRALDH1A1GAA
SCHEMBL5692127 0.86 CTSL (0.67) SIGMAR1TGM2TSHRALDH1A1GAA
SCHEMBL7394267 0.83 TSHR (0.62) SIGMAR1TGM2TSHRALDH1A1GAA
SCHEMBL30289263 0.83 ALDH1A1 (0.61) SIGMAR1TGM2TSHRALDH1A1GAA
SCHEMBL10361893 0.83 SIGMAR1 (0.65) SIGMAR1KMT2ADRD4DRD2DRD3
SCHEMBL30289124 0.83 ALDH1A1 (0.64) SIGMAR1TGM2TSHRALDH1A1GAA
SCHEMBL6901870 0.81 CTSL (0.57) TGM2TSHRALDH1A1GAACTSL
SCHEMBL20640315 0.81 SIGMAR1 (0.73) SIGMAR1KMT2ADRD4DRD2DRD3
SCHEMBL1870659 0.81 TGM2 (0.72) TGM2TSHRALDH1A1GAACTSL
SCHEMBL381922 0.80 ALDH1A1 (0.85) TSHRALDH1A1GAACTSLCTSB

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-2024131843-A1 ANTIBODY-DRUG CONJUGATE, PREPARATION METHOD THEREFOR, AND USE THEREOF 苏州宜联生物医药有限公司 2024-06-27 WO disclosed