SCHEMBL29444501

SCHEMBL29444501

O=C1Nc2cccc(O)c2C12CCN(Cc1ccccc1)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.46
OPRM1 P35372 2/20 0.46
OPRK1 P41145 2/20 0.46
OPRD1 P41143 1/20 0.46
POLB P06746 2/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CCR3 P51677 1/20 0.45
TSHR P16473 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
HIF1A Q16665 1/20 0.45
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
DRD3 P35462 2/20 0.44
CYP3A4 P08684 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL19211016 0.87 HTR1A (0.49) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL3669746 0.85 L3MBTL1 (0.48) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL19235306 0.85 TNKS (0.47) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL19235261 0.85 ALDH1A1 (0.47) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL19235264 0.82 ADRA1B (0.47) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL4952229 0.82 OPRL1 (0.60) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL20783508 0.82 DRD2 (0.49) OPRL1OPRM1OPRK1OPRD1TSHR
SCHEMBL3668112 0.81 TNKS (0.50) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL20783323 0.81 ALDH1A1 (0.50) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL19235362 0.81 OPRL1 (0.44) OPRL1OPRM1OPRK1OPRD1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108884096-B Spiroindolinones as DDR1 inhibitors 豪夫迈·罗氏有限公司 2022-03-22 CN disclosed