SCHEMBL21402232

SCHEMBL21402232

O=C(O)C1CNCC1C(=O)O.[NaH]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 1/20 0.41
SLC1A2 P43004 2/20 0.39
TSHR P16473 3/20 0.38
PMP22 Q01453 2/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38

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
SCHEMBL6335676 0.97 GABRR1 (0.43) GABRR1SLC1A2TSHRPMP22GABRP
SCHEMBL2811192 0.97 GABRR1 (0.43) GABRR1SLC1A2TSHRPMP22GABRP
SCHEMBL4445650 0.97 GABRR1 (0.43) GABRR1SLC1A2TSHRPMP22GABRP
SCHEMBL22160590 0.97 GABRR1 (0.43) GABRR1SLC1A2TSHRPMP22GABRP
SCHEMBL13221050 0.97 GABRR1 (0.43) GABRR1SLC1A2TSHRPMP22GABRP
SCHEMBL17743462 0.94 GABRR1 (0.41) GABRR1SLC1A2TSHRPMP22GABRP
SCHEMBL29951639 0.84 HPSE (0.37) GABRR1SLC1A2TSHRMC4RLMNA
SCHEMBL11889143 0.82 SLC1A2 (0.38) GABRR1SLC1A2TSHRPMP22GABRP
SCHEMBL17743433 0.82 SLC1A2 (0.46) GABRR1SLC1A2TSHRPMP22GABRP
SCHEMBL3196556 0.80

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
EP-3020464-B1 ACIDIC GAS ABSORBING AGENT, METHOD FOR REMOVING ACIDIC GAS AND APPARATUS FOR REMOVING ACIDIC GAS TOSHIBA KK (JP) 2019-10-02 EP claimed
EP-3020464-B1 ACIDIC GAS ABSORBING AGENT, METHOD FOR REMOVING ACIDIC GAS AND APPARATUS FOR REMOVING ACIDIC GAS TOSHIBA KK (JP) 2019-10-02 EP disclosed