SCHEMBL28915964

SCHEMBL28915964

C[C@H]1CN(C(=O)Cl)CCN1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 2/20 0.35
CPS1 P31327 1/20 0.34
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
GHSR Q92847 1/20 0.32

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
SCHEMBL28742997 1.00 TSHR (0.39) TSHRLMNAALOX15HSD17B10L3MBTL1
SCHEMBL28915023 1.00 TSHR (0.39) TSHRLMNAALOX15HSD17B10L3MBTL1
SCHEMBL20279557 0.88 TSHR (0.41) TSHRLMNAALOX15HSD17B10L3MBTL1
SCHEMBL21354258 0.86 TSHR (0.41) TSHRLMNAALOX15HSD17B10L3MBTL1
SCHEMBL17061936 0.86 TSHR (0.41) TSHRLMNAALOX15HSD17B10L3MBTL1
SCHEMBL17061934 0.86 TSHR (0.41) TSHRLMNAALOX15HSD17B10L3MBTL1
SCHEMBL16009932 0.85 TSHR (0.39) TSHRLMNAALOX15HSD17B10L3MBTL1
SCHEMBL28572878 0.85 TSHR (0.39) TSHRLMNAALOX15HSD17B10L3MBTL1
SCHEMBL16010481 0.85 TSHR (0.39) TSHRLMNAALOX15HSD17B10L3MBTL1
SCHEMBL7995036 0.84 TSHR (0.41) TSHRLMNAALOX15HSD17B10L3MBTL1

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
CN-112996784-A Indole derivatives and their use in medicine 北京越之康泰生物医药科技有限公司 2021-06-18 CN disclosed