SCHEMBL28119613

SCHEMBL28119613

O=C(O)C1CCC(=CC2CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.38
GABRD O14764 3/20 0.38
GABRA1 P14867 3/20 0.38
GABRB1 P18505 3/20 0.38
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 0.38
GABRA5 P31644 3/20 0.38
GABRA3 P34903 3/20 0.38
GABRA2 P47869 3/20 0.38
GABRB2 P47870 3/20 0.38
GABRA4 P48169 3/20 0.38
GABRE P78334 3/20 0.38
GABRA6 Q16445 3/20 0.38
GABRG1 Q8N1C3 3/20 0.38
GABRG3 Q99928 3/20 0.38
GABRQ Q9UN88 3/20 0.38
GABRR1 P24046 1/20 0.38
TSHR P16473 1/20 0.38
PMP22 Q01453 1/20 0.38
PLG P00747 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
SCHEMBL7095734 0.82 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13279903 0.77 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7080330 0.76 TSHR (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28822241 0.76 GABRP (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8466813 0.72 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10636223 0.72 ESR2 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL850840 0.72 GAA (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12968303 0.69 GABRP (0.36) GABRPGABRDGABRA1GABRB1GABRG2
Ammonia Solution, Strong SCHEMBL11137886 0.69 TSHR (0.58) GABRPGABRDGABRA1GABRB1GABRG2
Cyclopropane Carboxylic Acid SCHEMBL30595491 0.69 TSHR (0.58) GABRPGABRDGABRA1GABRB1GABRG2

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-105111210-B Condensed imidazole derivatives as IDO inhibitor 新联基因公司 2018-10-09 CN disclosed
CN-103547579-B Fused imidazole derivatives as IDO inhibitors 新联基因公司 2017-02-15 CN disclosed
CN-105111210-A Fused imidazole derivatives useful as IDO inhibitors NEWLINK GENETICKS CORP 2015-12-02 CN disclosed