SCHEMBL22445486

SCHEMBL22445486

O=C(OC1CCNCC1)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.44
TSHR P16473 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRA6 Q16445 2/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRE P78334 1/20 0.44
PMP22 Q01453 1/20 0.44
GABRG1 Q8N1C3 1/20 0.44
GABRG3 Q99928 1/20 0.44
GABRQ Q9UN88 1/20 0.44
POLB P06746 1/20 0.42
CHRNB2 P17787 3/20 0.39

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
SCHEMBL9346315 0.95 GABRA1 (0.50) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL14810067 0.91 GABRA1 (0.50) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL15082410 0.90 CHRM3 (0.44) GABRA1TSHRGABRG2GABRB3GABRA5
Hydrochloric Acid SCHEMBL28832713 0.89 GABRA1 (0.48) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL13746183 0.87 GABRP (0.46) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL28596132 0.87 GABRA5 (0.37) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL28596130 0.87 GABRA5 (0.37) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL23418816 0.85 GABRA5 (0.45) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL29224138 0.85 GABRP (0.45) GABRA1TSHRGABRG2GABRB3GABRA5
Hydrochloric Acid SCHEMBL29098542 0.85 TSHR (0.40) GABRA1TSHRGABRG2GABRB3GABRA5

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115785074-B PARP7 inhibitors and uses thereof 诺沃斯达药业(上海)有限公司 2024-05-07 CN disclosed
CN-112384509-B Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2024-04-30 CN disclosed
CN-112778299-B Piperazine ureido derivatives, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2023-07-14 CN disclosed
CN-115785074-A PARP7 inhibitors and uses thereof 诺沃斯达药业(上海)有限公司 2023-03-14 CN disclosed
EP-3941459-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF Stingray Therapeutics, Inc. (US) 2022-01-26 EP disclosed
CN-112778299-A Piperazine ureido derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2021-05-11 CN disclosed
CN-112384509-A Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2021-02-19 CN disclosed
WO-2020190912-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF Stingray Therapeutics, Inc. (US) 2020-09-24 WO disclosed