SCHEMBL31452884

SCHEMBL31452884

O=C(OC1CCOCC1)C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
TSHR P16473 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42
PMP22 Q01453 1/20 0.42
GABRA6 Q16445 1/20 0.42
GABRG1 Q8N1C3 1/20 0.42
GABRG3 Q99928 1/20 0.42
GABRQ Q9UN88 1/20 0.42
BACE1 P56817 1/20 0.35
APOL1 O14791 1/20 0.33

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
SCHEMBL14810067 0.86 GABRA1 (0.50) GABRPGABRDGABRA1TSHRGABRB1
SCHEMBL9346315 0.86 GABRA1 (0.50) GABRPGABRDGABRA1TSHRGABRB1
Hydrochloric Acid SCHEMBL28832713 0.84 GABRA1 (0.48) GABRPGABRDGABRA1TSHRGABRB1
SCHEMBL13746183 0.82 GABRP (0.46) GABRPGABRDGABRA1TSHRGABRB1
SCHEMBL22445486 0.82 GABRA1 (0.44) GABRPGABRDGABRA1TSHRGABRB1
SCHEMBL5360540 0.82 PDE4D (0.36) BACE1APOL1KAT2BBAZ2BPDE4D
SCHEMBL29224138 0.81 GABRP (0.45) GABRPGABRDGABRA1TSHRGABRB1
SCHEMBL27618624 0.81 GABRP (0.45) GABRPGABRDGABRA1TSHRGABRB1
SCHEMBL29958339 0.79 PDE4D (0.36) BACE1APOL1PDE4D
SCHEMBL2978095 0.79 CHRNB2 (0.53) BACE1APOL1KAT2BBAZ2B

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
CN-119968375-A Heterocyclic derivatives as Janus kinase inhibitors 奇斯药制品公司 2025-05-09 CN claimed