SCHEMBL29029957

SCHEMBL29029957

CC(C)(C)C1CN(c2ncc(C3CC3)cc2C(F)(F)F)CCN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.38
OPRK1 P41145 1/20 0.35
RBP4 P02753 2/20 0.35
GRM1 Q13255 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
SLC6A9 P48067 4/20 0.34
HCRTR2 O43614 3/20 0.34
HSD11B1 P28845 1/20 0.34
POLQ O75417 1/20 0.34
SLC6A7 Q99884 1/20 0.34
P2RX7 Q99572 1/20 0.33
GAA P10253 1/20 0.33
SMO Q99835 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
SCHEMBL29631768 0.82 HSD11B1 (0.44) TRPV1RBP4HSD11B1GAA
SCHEMBL23705807 0.78 CHRM2 (0.51) CHRM2CHRM1CHRM3SLC6A9GAA
SCHEMBL23706068 0.75 RBP4 (0.43) RBP4CHRM2CHRM1CHRM3HCRTR2
SCHEMBL24467799 0.75 CYP1A2 (0.44) TRPV1GAA
SCHEMBL29029902 0.74 DDB1 (0.45) TRPV1GAA
SCHEMBL4159672 0.70 NR1H2 (0.43) SLC6A9
SCHEMBL3201930 0.70 HSD11B1 (0.52) HSD11B1
SCHEMBL24467777 0.70 EPHX2 (0.52) TRPV1GAA
SCHEMBL29631810 0.70 EPHX2 (0.52) TRPV1GAA
SCHEMBL26924824 0.70 GRM1 (0.37) GRM1SLC6A9SLC6A7

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