SCHEMBL28034069

SCHEMBL28034069

CCC(CCC(=O)O)C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 2/20 0.46
CPB2 Q96IY4 2/20 0.46
MAPT P10636 1/20 0.36
ITGB3 P05106 3/20 0.36
ITGA2B P08514 3/20 0.36
GABRA5 P31644 5/20 0.35
GABRB2 P47870 5/20 0.35
GABRA1 P14867 4/20 0.35
GABRA4 P48169 4/20 0.35
GABRP O00591 3/20 0.35
GABRD O14764 3/20 0.35
GABRB1 P18505 3/20 0.35
GABRG2 P18507 3/20 0.35
GABRB3 P28472 3/20 0.35
GABRA3 P34903 3/20 0.35
GABRA2 P47869 3/20 0.35
GABRE P78334 3/20 0.35
GABRA6 Q16445 3/20 0.35
GABRG1 Q8N1C3 3/20 0.35
GABRG3 Q99928 3/20 0.35

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
SCHEMBL25429420 0.82 ALDH1A1 (0.49) MAPTGABRA5GABRB2GABRA1GABRA4
SCHEMBL27508607 0.79 CPN1 (0.44) CPN1CPB2MAPTITGB3ITGA2B
Acetic Acid SCHEMBL29252175 0.78 GNAI3 (0.42) CPN1CPB2MAPTGNAI3GNAO1
SCHEMBL13259736 0.77 CPN1 (0.33) CPN1CPB2SLC6A2SLC6A4SLC6A3
SCHEMBL10272804 0.77 CPN1 (0.38) CPN1CPB2OPRD1SLC6A2SLC6A4
SCHEMBL28071209 0.76 CPN1 (0.42) CPN1CPB2ITGB3ITGA2BGABRA5
SCHEMBL13825689 0.74 GNAO1 (0.38) CPN1CPB2GNAI3GNAO1GNAI1
SCHEMBL20935045 0.74 CPN1 (0.32) CPN1CPB2
SCHEMBL1775857 0.74 CPN1 (0.67) CPN1CPB2GABRA5GABRB2GABRA1
SCHEMBL21919470 0.74 CPN1 (0.37) CPN1CPB2OPRD1SLC6A2SLC6A4

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
CN-104876955-B Arginase inhibitor and its treatment use 马尔斯公司 2018-11-23 CN disclosed
CN-103068830-B Arginase inhibitors and therapeutic uses thereof 马尔斯公司 2016-06-29 CN disclosed
CN-104876955-A Inhibitors Of Arginase And Their Therapeutic Applications MARS INC 2015-09-02 CN disclosed