SCHEMBL21592980

SCHEMBL21592980

CN1CCC(N(C)C(N)=O)C1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.42
ALDH1A1 P00352 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MAP4K4 O95819 1/20 0.37

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
SCHEMBL7979611 0.88 ALDH1A1 (0.48) ALDH1A1
SCHEMBL12022268 0.88 ALDH1A1 (0.48) ALDH1A1
SCHEMBL15808545 0.85 MCHR1 (0.40) MCHR1HRH3MAP4K4
SCHEMBL856650 0.82 MCHR1 (0.43) MCHR1ALDH1A1HRH3
SCHEMBL799469 0.82 MCHR1 (0.43) MCHR1HRH3MAP4K4
SCHEMBL8272497 0.82 MCHR1 (0.43) MCHR1HRH3MAP4K4
SCHEMBL8272498 0.82 MCHR1 (0.43) MCHR1HRH3MAP4K4
SCHEMBL3937932 0.81 MCHR1 (0.42) MCHR1HRH3
SCHEMBL13954232 0.81 MCHR1 (0.42) MCHR1HRH3
SCHEMBL5844177 0.81 MCHR1 (0.36) MCHR1ALDH1A1HRH3MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103270039-A Novel cyclic amine compound and method for producing polyurethane resin using same TOSOH CORP 2013-08-28 CN claimed
CN-101104675-B Catalyst compositions for improving polyurethane foam performance AIR PROD & CHEM 2010-09-29 CN claimed
CN-101104675-A Catalyst compositions for improving polyurethane foam performance AIR PROD & CHEM (US) 2008-01-16 CN claimed
CN-100344665-C Fast demold/extended cream time polyurethane formulations AIR PROD & CHEM (US) 2007-10-24 CN claimed
CN-1702090-A Fast demold/extended cream time polyurethane formulations AIR PROD & CHEM (US) 2005-11-30 CN claimed
CN-1207280-C Aminomethyl pyrrolidine urea compositions for production of polyurethanes AIR PROD & CHEM (US) 2005-06-22 CN claimed
CN-1198436-A Aminomethyl pyrrolidine urea compositions for production of polyurethanes AIR PROD & CHEM (US) 1998-11-11 CN claimed
WO-2022150707-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, Inc. (US) 2022-07-14 WO disclosed
CN-113214141-A 5HT2A receptor antagonists, their preparation and use 瀚远医药有限公司 2021-08-06 CN disclosed
WO-2019238067-A1 PYRROLO [2, 3-B] PYRIDINES OR PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2019-12-19 WO disclosed
CN-103270039-A Novel cyclic amine compound and method for producing polyurethane resin using same TOSOH CORP 2013-08-28 CN disclosed
CN-101104675-B Catalyst compositions for improving polyurethane foam performance AIR PROD & CHEM 2010-09-29 CN disclosed
CN-101104675-A Catalyst compositions for improving polyurethane foam performance AIR PROD & CHEM (US) 2008-01-16 CN disclosed
CN-100344665-C Fast demold/extended cream time polyurethane formulations AIR PROD & CHEM (US) 2007-10-24 CN disclosed
CN-1702090-A Fast demold/extended cream time polyurethane formulations AIR PROD & CHEM (US) 2005-11-30 CN disclosed