SCHEMBL24372009

SCHEMBL24372009

CC(C)(C)OC(=O)CCC[C@H]1CCNC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRB2 P47870 2/20 0.41
SLC6A12 P48065 2/20 0.41
SLC6A11 P48066 2/20 0.41
SLC6A13 Q9NSD5 2/20 0.41
GABRA1 P14867 1/20 0.41
GABRR1 P24046 1/20 0.41
GABRA4 P48169 1/20 0.41
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39
FAAH O00519 2/20 0.37
ITGB3 P05106 4/20 0.37
ITGA2B P08514 4/20 0.37
EPHX2 P34913 1/20 0.36
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
KMT2A Q03164 1/20 0.34

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
SCHEMBL5221577 0.92 TPSAB1 (0.44) TPSAB1TPSD1TPSG1FAAHITGB3
SCHEMBL24541945 0.91 SLC6A1 (0.43) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL1201466 0.82 HTR4 (0.39) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL1201892 0.82 KMT2A (0.49) SLC6A1SLC6A11SLC6A13KMT2ANAAA
SCHEMBL25816991 0.82 KMT2A (0.49) SLC6A1SLC6A11SLC6A13KMT2ANAAA
SCHEMBL14378439 0.81 SLC6A1 (0.55) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL16553630 0.81 SLC6A1 (0.55) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL1515352 0.81 SLC6A1 (0.55) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL25884523 0.80 ALDH1A1 (0.43) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL28307203 0.79 ITGB3 (0.39) TPSAB1TPSD1TPSG1FAAHITGB3

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
EP-3988547-A1 INDAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2022-04-27 EP disclosed