SCHEMBL29029922

SCHEMBL29029922

CC(C)(C)OC(=O)N1CCN(c2ncc(C3CC3)cc2C#N)CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.56
NR1H3 Q13133 1/20 0.56
GPR119 Q8TDV5 10/20 0.49
RET P07949 6/20 0.48
EGLN2 Q96KS0 1/20 0.44
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44

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
SCHEMBL22278996 0.86 NR1H2 (0.58) NR1H2NR1H3GPR119RETEGLN2
SCHEMBL2366237 0.84 MAPT (0.47) GPR119RETDDB1CRBN
SCHEMBL2365849 0.84 DDB1 (0.47) NR1H2NR1H3GPR119DDB1CRBN
SCHEMBL14686506 0.84 NR1H2 (0.59) NR1H2NR1H3GPR119RETEGLN2
SCHEMBL14687796 0.84 NR1H2 (0.58) NR1H2NR1H3GPR119RETEGLN2
SCHEMBL29631853 0.83 HDAC2 (0.44) NR1H2NR1H3
SCHEMBL31651962 0.83 TLR9 (0.50) GPR119DDB1CRBN
SCHEMBL31410407 0.82 NR1H2 (0.57) NR1H2NR1H3GPR119RETEGLN2
SCHEMBL31410394 0.82 NR1H2 (0.57) NR1H2NR1H3GPR119RETEGLN2
SCHEMBL16442376 0.82 GPR119 (0.50) GPR119RETDDB1CRBN

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
CN-116157396-A Pyridazinone derivatives and their use in medicine 成都百裕制药股份有限公司 2023-05-23 CN disclosed
WO-2022111700-A1 PYRIDAZINONE DERIVATIVES AND USE THEREOF IN MEDICINE 成都百裕制药股份有限公司 2022-06-02 WO disclosed