SCHEMBL20153477

SCHEMBL20153477

CCOC(O)CC(c1ccc(OC)nc1)c1ncc(Br)s1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.36
OXTR P30559 1/20 0.33
HRH1 P35367 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
CTSA P10619 1/20 0.31
CHRNA7 P36544 1/20 0.30
FBP1 P09467 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
SCHEMBL20153484 0.79 CTSA (0.40) FFAR1OXTRCTSAFBP1
SCHEMBL4805423 0.66 OXTR (0.46) FFAR1OXTRKMT2AMEN1MAPT
SCHEMBL16762977 0.65 LMNA (0.42) OXTRKMT2AMEN1MAPTALDH1A1
SCHEMBL19965687 0.64 NNMT (0.41) OXTRHRH1KMT2AMEN1MAPT
SCHEMBL18228247 0.64 NNMT (0.47) OXTRKMT2AMEN1MAPTALDH1A1
SCHEMBL1581887 0.63 NNMT (0.46) OXTRHRH1KMT2AMEN1MAPT
SCHEMBL30108570 0.63 NNMT (0.46) OXTRHRH1KMT2AMEN1MAPT
SCHEMBL12387805 0.63 FYN (0.40) OXTRKMT2AMEN1MAPTALDH1A1
SCHEMBL10352342 0.62 OXTR (0.45) FFAR1OXTRKMT2AMEN1MAPT
SCHEMBL22031521 0.62 NNMT (0.42) OXTRKMT2AMEN1MAPTALDH1A1

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
WO-2018089353-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed