SCHEMBL29947651

SCHEMBL29947651

CCOC(=O)C12CCCN1c1ccccc1C2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.46
OPRD1 P41143 3/20 0.46
OPRK1 P41145 3/20 0.46
SLC22A1 O15245 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
KCNH2 Q12809 1/20 0.46
BRD4 O60885 1/20 0.41
LMNA P02545 1/20 0.41
HTR1A P08908 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NOTUM Q6P988 1/20 0.41
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL24894664 1.00 OPRM1 (0.46) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL24894751 0.70 OPRM1 (0.34) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL24176272 0.70 KDM4E (0.37) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL22220530 0.70 KDM4E (0.37) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL10842293 0.69 OPRM1 (0.40) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL31034902 0.68 BRD4 (0.51) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL7301462 0.68 BRD4 (0.54) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL15187599 0.67 DRD2 (0.48) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL9770000 0.67 BRD4 (0.47) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL21142455 0.67 BRD4 (0.68) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024138486-A1 TETRACYCLIC DERIVATIVES AS KRAS INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2024-07-04 WO disclosed
WO-2024091409-A1 TRICYCLIC DERIVATIVES AS KRAS INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2024-05-02 WO disclosed
WO-2024051721-A1 TETRACYCLIC DERIVATIVES AS KRAS INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2024-03-14 WO disclosed
WO-2023284730-A1 ALKYLIDENE DERIVATIVES AS KRAS INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2023-01-19 WO disclosed
WO-2022187527-A1 QUINAZOLINE NITRILE DERIVATIVES AS KRAS INHIBITORS NIKANG THERAPEUTICS, INC (US) 2022-09-09 WO disclosed