SCHEMBL2777057

SCHEMBL2777057

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.46
HRH3 Q9Y5N1 2/20 0.46
ADRB2 P07550 1/20 0.45
NAMPT P43490 2/20 0.44
POLB P06746 1/20 0.43
EPHX2 P34913 2/20 0.42
PARP10 Q53GL7 1/20 0.42
MLNR O43193 2/20 0.42
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
SRD5A2 P31213 1/20 0.41

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
SCHEMBL2776630 1.00 SRD5A1 (0.46) SRD5A1HRH3ADRB2NAMPTPOLB
SCHEMBL2775789 0.88 HRH1 (0.45) SRD5A1HRH3ADRB2NAMPTPOLB
SCHEMBL2775725 0.83 DPP4 (0.49) SRD5A1HRH3ADRB2NAMPTEPHX2
SCHEMBL27805791 0.83 SRD5A1 (0.49) SRD5A1HRH3ADRB2NAMPTPOLB
SCHEMBL27805792 0.83 SRD5A1 (0.49) SRD5A1HRH3ADRB2NAMPTPOLB
Hydrochloric Acid SCHEMBL2776093 0.82 DPP4 (0.48) SRD5A1HRH3ADRB2NAMPTEPHX2
Hydrochloric Acid SCHEMBL2775588 0.82 DPP4 (0.48) SRD5A1HRH3ADRB2NAMPTEPHX2
Hydrochloric Acid SCHEMBL2777270 0.82 HRH3 (0.49) SRD5A1HRH3ADRB2NAMPTPOLB
SCHEMBL2777487 0.81 HSD11B1 (0.59) POLB
Hydrochloric Acid SCHEMBL2774192 0.79 DPP4 (0.49) SRD5A1HRH3ADRB2NAMPTEPHX2

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