SCHEMBL6978072

SCHEMBL6978072

CCN1CC(COS(=O)(=O)c2ccc(C)cc2)Oc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK1 P28482 1/20 0.43
P2RX4 Q99571 1/20 0.40
THRB P10828 2/20 0.40
CA2 P00918 1/20 0.39
POLB P06746 1/20 0.37
SIRT1 Q96EB6 2/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
GRM2 Q14416 1/20 0.37
TP53 P04637 1/20 0.36
HTR1A P08908 1/20 0.36

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
SCHEMBL6979029 0.91 LMNA (0.43) LMNASMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL6970468 0.88 SIRT1 (0.47) LMNASMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL6971596 0.88 LMNA (0.42) LMNASMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL6978595 0.86 CA2 (0.39) LMNASMN1; SMN2MAPTMAPK1THRB
SCHEMBL730472 0.86 PTGIR (0.46) LMNASMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL7918563 0.85 HTR1A (0.42) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL9699072 0.84 LMNA (0.44) LMNASMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL6978928 0.84 LMNA (0.44) LMNASMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL6967825 0.83 GRM2 (0.54) LMNASMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL12695869 0.82 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