SCHEMBL2773036

SCHEMBL2773036

CC(C)(C)[C@H](NC(=O)O)C(=O)N1CCC(Oc2ccc(F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.46
EPHX2 P34913 6/20 0.44
NAMPT P43490 1/20 0.44
CCR1 P32246 2/20 0.43
MLNR O43193 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
LIPG Q9Y5X9 2/20 0.42
LIPC P11150 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADRB2 P07550 1/20 0.42

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
SCHEMBL2776669 0.92 SRD5A1 (0.45) SRD5A1EPHX2NAMPTMLNRLMNA
SCHEMBL2775803 0.85 CCR1 (0.55) SRD5A1EPHX2NAMPTCCR1LMNA
SCHEMBL2780495 0.85 CCR1 (0.55) SRD5A1EPHX2NAMPTCCR1LMNA
SCHEMBL6523989 0.85 NAMPT (0.43) SRD5A1EPHX2NAMPTCCR1LMNA
SCHEMBL2776968 0.85 NAMPT (0.48) SRD5A1EPHX2NAMPTCCR1ADRB2
SCHEMBL2774857 0.82 SRD5A1 (0.48) SRD5A1EPHX2NAMPTMLNRLMNA
SCHEMBL2779917 0.82 NAMPT (0.47) SRD5A1EPHX2NAMPTCCR1MLNR
Hydrochloric Acid SCHEMBL2774192 0.80 DPP4 (0.49) SRD5A1EPHX2NAMPTMLNRMAPT
SCHEMBL2774390 0.80 POLB (0.55) SRD5A1EPHX2NAMPTCCR1LMNA
SCHEMBL2774417 0.80 CCR1 (0.42) SRD5A1EPHX2NAMPTCCR1MLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258697-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-12-08 EP disclosed