SCHEMBL10756147

SCHEMBL10756147

CCOC(=O)N[C@H]1CCc2cccc3c2[C@H]1Cc1ccccc1N3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.41
BRD4 O60885 2/20 0.39
DRD2 P14416 1/20 0.39
HTR1A P08908 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ACHE P22303 1/20 0.37
MTNR1A P48039 5/20 0.37
MTNR1B P49286 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
ALOX15 P16050 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL10852417 1.00 ATM (0.41) ATMBRD4DRD2HTR1ASMN1; SMN2
SCHEMBL10921784 0.86 GAA (0.39) BRD4MTNR1AMTNR1BMAPTGAA
SCHEMBL10754195 0.77 ACHE (0.38) ATMBRD4DRD2HTR1AACHE
SCHEMBL10756153 0.77 ATM (0.41) ATMBRD4DRD2HTR1ASMN1; SMN2
SCHEMBL10761527 0.77 BRD4 (0.41) BRD4DRD2HTR1AACHETSHR
SCHEMBL10761523 0.77 BRD4 (0.41) BRD4DRD2HTR1AACHETSHR
SCHEMBL10754177 0.77 ATM (0.39) ATMBRD4DRD2HTR1ASMN1; SMN2
SCHEMBL10762532 0.73 ATM (0.39) ATMBRD4DRD2SMN1; SMN2MEN1
SCHEMBL10762535 0.73 ATM (0.39) ATMBRD4DRD2SMN1; SMN2MEN1
SCHEMBL8568355 0.72 MTNR1A (0.50) ATMBRD4DRD2SMN1; SMN2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4585588-A ANTIDEPRESSANTS BEECHAM GROUP P.L.C. (GB) 1986-04-29 US claimed
US-4638066-A ANTIDEPRESSANTS BEECHAM GROUP P.L.C. (GB) 1987-01-20 US disclosed
EP-0088575-B1 PENTACYCLIC COMPOUNDS BEECHAM GROUP PLC (GB) 1986-12-30 EP disclosed
US-4585588-A ANTIDEPRESSANTS BEECHAM GROUP P.L.C. (GB) 1986-04-29 US disclosed
US-4504480-A DIAZABENZOCYCLOHEPTAFLUORENE DERIVATRIVES, ANTIDEPRESSANTS BEECHAM GROUP P.L.C. (GB) 1985-03-12 US disclosed
EP-0088575-A2 Pentacyclic compounds BEECHAM GROUP PLC (GB) 1983-09-14 EP disclosed