SCHEMBL15719692

SCHEMBL15719692

COC(=O)C1C(OC)C(F)CN1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CFD P00746 7/20 0.33
MMP2 P08253 1/20 0.32
ANPEP P15144 1/20 0.32
TSHR P16473 1/20 0.32
BRD4 O60885 1/20 0.30

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
SCHEMBL18549611 0.86 CFD (0.32) CFD
SCHEMBL28712524 0.86 CFD (0.32) CFD
SCHEMBL15720961 0.81 TSHR (0.36) MMP2ANPEPTSHRBRD4
SCHEMBL15719829 0.81 MMP2 (0.33) MMP2ANPEPTSHRBRD4
SCHEMBL15721076 0.77 BRD4 (0.33) CFDMMP2ANPEPTSHRBRD4
SCHEMBL12480627 0.73 S1PR1 (0.41) CFD
SCHEMBL15718956 0.71 BRD4 (0.34) MMP2ANPEPTSHRBRD4
SCHEMBL15719780 0.71 TSHR (0.36) MMP2ANPEPTSHRBRD4
SCHEMBL2564045 0.70 CYP2C19 (0.35) MMP2ANPEPTSHRBRD4
SCHEMBL15719819 0.69 TSHR (0.37) MMP2ANPEPTSHRBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2925741-A1 PYRROLIDINE GPR40 MODULATORS Bristol-Myers Squibb Company (US) 2015-10-07 EP disclosed
WO-2014078609-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-22 WO disclosed