SCHEMBL10756153

SCHEMBL10756153

CCOC(=O)N[C@@H]1CCc2cccc3c2[C@H]1Nc1ccccc1C3

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
MTNR1A P48039 5/20 0.40
DRD2 P14416 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 1/20 0.36
BRD4 O60885 1/20 0.36
HTR1A P08908 2/20 0.35
MTNR1B P49286 2/20 0.35
SMYD3 Q9H7B4 1/20 0.35
HPGD P15428 3/20 0.35
ACHE P22303 2/20 0.35
THRB P10828 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL10762542 0.90 ATM (0.47) ATMMTNR1ADRD2SMN1; SMN2KDM4E
SCHEMBL10921783 0.86 SMYD3 (0.40) MTNR1ADRD2GAAHTR1AMTNR1B
SCHEMBL10761532 0.78 PDPK1 (0.36) MTNR1AHTR1ASMYD3ACHE
SCHEMBL10756147 0.77 ATM (0.41) ATMMTNR1ADRD2SMN1; SMN2KDM4E
SCHEMBL10852417 0.77 ATM (0.41) ATMMTNR1ADRD2SMN1; SMN2KDM4E
SCHEMBL10919334 0.77 MAPT (0.43) ATMMTNR1AGAAMTNR1BSMYD3
SCHEMBL10919336 0.77 MAPT (0.43) ATMMTNR1AGAAMTNR1BSMYD3
SCHEMBL8568359 0.76 MTNR1A (0.50) ATMMTNR1ADRD2SMN1; SMN2KDM4E
SCHEMBL8568363 0.76 MTNR1A (0.50) ATMMTNR1ADRD2SMN1; SMN2KDM4E
SCHEMBL8568355 0.76 MTNR1A (0.50) ATMMTNR1ADRD2SMN1; SMN2KDM4E

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