SCHEMBL6008976

SCHEMBL6008976

C[C@@H](c1ccccc1)N1CC2CC2(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
NAMPT P43490 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
CTSK P43235 3/20 0.37
UTS2R Q9UKP6 3/20 0.37
CTSS P25774 1/20 0.36
CYP2D6 P10635 1/20 0.35
CTSL P07711 1/20 0.35

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
SCHEMBL31401115 1.00 KMT2A (0.39) KMT2ANAMPTDPP8DPP9CTSK
SCHEMBL2670527 0.90 DPP8 (0.36) KMT2ADPP8DPP9CTSKUTS2R
SCHEMBL4748856 0.90 DPP8 (0.36) KMT2ADPP8DPP9CTSKUTS2R
SCHEMBL4748025 0.87 KMT2A (0.36) KMT2ACTSKUTS2RCTSL
SCHEMBL2670226 0.86 UTS2R (0.36) KMT2ACTSKUTS2RCTSSCTSL
SCHEMBL2670542 0.86 UTS2R (0.35) KMT2ADPP8DPP9CTSKUTS2R
SCHEMBL2670666 0.86 UTS2R (0.36) KMT2ACTSKUTS2RCTSSCTSL
SCHEMBL2671260 0.86 UTS2R (0.37) KMT2ACTSKUTS2RCTSS
SCHEMBL2671027 0.86 UTS2R (0.37) KMT2ACTSKUTS2RCTSS
SCHEMBL4749646 0.85 UTS2R (0.34) KMT2ADPP8DPP9CTSKUTS2R

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
EP-0924213-B1 PYRIDOBENZOXAZINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2006-06-28 EP disclosed
EP-0807630-B1 HETEROCYCLIC COMPOUNDS DAIICHI SEIYAKU CO (JP) 2003-05-07 EP disclosed
EP-1304329-A2 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-23 EP disclosed
US-6191129-B1 MICROBIOCIDES, BACTERICIDES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-02-20 US disclosed
EP-0924213-A1 PYRIDOBENZOXAZINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-06-23 EP disclosed
EP-0807630-A1 HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed