SCHEMBL7516286

SCHEMBL7516286

CC(C)(C)OC(=O)NCC12CCC1CN(Cc1ccccc1)C2

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 6/20 0.53
NPFFR2 Q9Y5X5 6/20 0.53
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.44
ACHE P22303 2/20 0.41
BCHE P06276 1/20 0.41
SIGMAR1 Q99720 3/20 0.41
IDO1 P14902 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SYK P43405 1/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39

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
SCHEMBL5463318 0.94 NPFFR1 (0.52) NPFFR1NPFFR2KMT2AL3MBTL1ALDH1A1
SCHEMBL9178875 0.89 NPFFR1 (0.50) NPFFR1NPFFR2KMT2AL3MBTL1ALDH1A1
SCHEMBL23070812 0.83 NPFFR1 (0.60) NPFFR1NPFFR2KMT2AL3MBTL1ALDH1A1
SCHEMBL7518231 0.81 NPFFR1 (0.48) NPFFR1NPFFR2KMT2AL3MBTL1ALDH1A1
SCHEMBL7491453 0.81 NPFFR1 (0.46) NPFFR1NPFFR2KMT2AL3MBTL1ALDH1A1
SCHEMBL7499070 0.81 NPFFR1 (0.46) NPFFR1NPFFR2KMT2AL3MBTL1ALDH1A1
SCHEMBL8922758 0.81 NPFFR1 (0.46) NPFFR1NPFFR2KMT2AL3MBTL1ALDH1A1
SCHEMBL34473649 0.77 KMT2A (0.47) NPFFR1NPFFR2KMT2AL3MBTL1ALDH1A1
SCHEMBL4508281 0.77 NPFFR1 (0.57) NPFFR1NPFFR2ALDH1A1SIGMAR1IDO1
SCHEMBL4512214 0.77 NPFFR1 (0.52) NPFFR1NPFFR2KMT2AL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0812838-B1 PYRIDONECARBOXYLIC ACID DERIVATIVE SUBSTITUTED BY BICYCLIC AMINO GROUP, ESTER THEREOF, SALT THEREOF, AND BICYCLIC AMINE AS INTERMEDIATE THEREFOR DAINIPPON PHARMACEUTICAL CO (JP) 2002-05-02 EP disclosed
US-5990106-A ANTIBIOTICS; 3-AZABICYCLO(3.2.0)HEPT-3-YL GROUP JOINED AT GIVEN POSITION OF A PYRIDONECARBOXYLIC ACID RESIDUE, SUCH AS 7-(1-AMINO-3-AZABICYCLO(3.2.0)HEPT-3-YL)-1-CYCLOPROPYL-6,8-DIFLUORO-1,4 -DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLIC ACID DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-11-23 US disclosed
EP-0812838-A1 PYRIDONECARBOXYLIC ACID DERIVATIVE SUBSTITUTED BY BICYCLIC AMINO GROUP, ESTER THEREOF, SALT THEREOF, AND BICYCLIC AMINE AS INTERMEDIATE THEREFOR DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1997-12-17 EP disclosed