SCHEMBL6979029

SCHEMBL6979029

CCCN1CC(COS(=O)(=O)c2ccc(C)cc2)Oc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR1A P08908 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
THRB P10828 1/20 0.39
P2RX4 Q99571 1/20 0.39
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
DRD3 P35462 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL6978072 0.91 LMNA (0.44) LMNASMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL730472 0.86 PTGIR (0.46) LMNASMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL6971596 0.86 LMNA (0.42) LMNASMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL6970468 0.86 SIRT1 (0.47) LMNASMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL7918893 0.86 HTR1A (0.43) ALDH1A1CYP3A4CYP2D6TSHRMAPT
SCHEMBL15757164 0.84 MAPK1 (0.48) ALDH1A1CYP3A4CYP2D6TSHRMAPT
SCHEMBL9699072 0.82 LMNA (0.44) LMNASMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL6978928 0.82 LMNA (0.44) LMNASMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL6967825 0.81 GRM2 (0.54) LMNASMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL12695869 0.80 MAPT (0.48) LMNASMN1; SMN2ALDH1A1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140925-B1 (3,4 DIHYDRO-2H-BENZO[1,4] OXAZINYL-METHYL)- 3-(1H-INDOL-3- YL)-ALKYL -AMINES WYETH CORP (US) 2003-04-23 EP disclosed
US-6313114-B1 ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORP 2001-11-06 US disclosed
EP-1140925-A1 (3,4 DIHYDRO-2H-BENZO[1,4] OXAZINYL-METHYL)- 3-(1H-INDOL-3- YL)-ALKYL -AMINES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP disclosed
WO-2000040580-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINYL-METHYL[3-(1H-INDOL-3-YL)-ALKYL]-AMINES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-13 WO disclosed