SCHEMBL18183641

SCHEMBL18183641

OCc1cnc2c(c1)CCCO2

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 4/20 0.40
CYP11B2 P19099 1/20 0.33
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
CDK9 P50750 1/20 0.31
ACHE P22303 2/20 0.30
SYK P43405 1/20 0.30

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
SCHEMBL18183754 0.83 GRM1 (0.37) GRM1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL28395307 0.81 GRM1 (0.47) GRM1CYP11B2TP53CYP3A4MAPK1
SCHEMBL23349323 0.80 GRM1 (0.35) GRM1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL26828839 0.80 GRM1 (0.35) GRM1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL9877020 0.74 ACHE (0.41) GRM1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL20731174 0.74 ACHE (0.38) GRM1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL22575141 0.74 GRM1 (0.34) GRM1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL21606986 0.74 ALK (0.34) GRM1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL11926935 0.74 ACHE (0.35) GRM1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL5251667 0.74 USP9X (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110724151-B Synthesis method of (3, 4-dihydro-2H-pyrano [2,3-b ] pyridine-6-yl) methanol 成都睿智化学研究有限公司 2022-03-04 CN claimed
CN-110724151-A Synthesis method of (3, 4-dihydro-2H-pyrano [2,3-b ] pyridine-6-yl) methanol 成都睿智化学研究有限公司 2020-01-24 CN claimed
CN-110724151-B Synthesis method of (3, 4-dihydro-2H-pyrano [2,3-b ] pyridine-6-yl) methanol 成都睿智化学研究有限公司 2022-03-04 CN disclosed
CN-110724151-B Synthesis method of (3, 4-dihydro-2H-pyrano [2,3-b ] pyridine-6-yl) methanol 成都睿智化学研究有限公司 2022-03-04 CN disclosed
CN-110724151-B Synthesis method of (3, 4-dihydro-2H-pyrano [2,3-b ] pyridine-6-yl) methanol 成都睿智化学研究有限公司 2022-03-04 CN disclosed
CN-110724151-A Synthesis method of (3, 4-dihydro-2H-pyrano [2,3-b ] pyridine-6-yl) methanol 成都睿智化学研究有限公司 2020-01-24 CN disclosed
CN-110724151-A Synthesis method of (3, 4-dihydro-2H-pyrano [2,3-b ] pyridine-6-yl) methanol 成都睿智化学研究有限公司 2020-01-24 CN disclosed
CN-110724151-A Synthesis method of (3, 4-dihydro-2H-pyrano [2,3-b ] pyridine-6-yl) methanol 成都睿智化学研究有限公司 2020-01-24 CN disclosed
WO-2016171181-A1 2-SUBSTITUTED FUSED PYRAZOLE DERIVATIVES 大日本住友製薬株式会社 2016-10-27 WO disclosed