SCHEMBL28596325

SCHEMBL28596325

C[C@@H]1CNCCN1c1ccc(C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.49
RAD52 P43351 1/20 0.45
OPRD1 P41143 1/20 0.41
ALDH1A1 P00352 4/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ADRB1 P08588 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
APEX1 P27695 1/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39

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
SCHEMBL1473008 1.00 USP2 (0.49) USP2RAD52OPRD1ALDH1A1TSHR
SCHEMBL22801996 0.88 MAPT (0.46) USP2RAD52OPRD1ALDH1A1TSHR
SCHEMBL22801980 0.88 MAPT (0.46) USP2RAD52OPRD1ALDH1A1TSHR
SCHEMBL3168784 0.87 RAD52 (0.44) USP2RAD52ALDH1A1TSHRHSD17B10
SCHEMBL5631357 0.87 RAD52 (0.44) USP2RAD52OPRD1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL2925849 0.85 RAD52 (0.46) USP2RAD52ALDH1A1TSHRHSD17B10
SCHEMBL5742221 0.84 OPRD1 (0.46) RAD52OPRD1ALDH1A1HSD17B10MAPT
SCHEMBL18889530 0.82 HSD17B3 (0.43) RAD52ALDH1A1ADRB1MAPTKMT2A
SCHEMBL19617168 0.81 HTT (0.49) RAD52ALDH1A1TSHRTDP1POLB
SCHEMBL22411659 0.81 RAD52 (0.49) RAD52ALDH1A1ADRB1KDM4EMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113072521-B ROR gamma t inhibitor and application thereof in medicines 广东东阳光药业股份有限公司 2024-04-05 CN disclosed
CN-113072521-A ROR gamma t inhibitor and application thereof in medicine 广东东阳光药业有限公司 2021-07-06 CN disclosed