SCHEMBL4958519

SCHEMBL4958519

COc1cc(CN2CCC(N(c3nc4cccnc4s3)C3CCN(Nc4nc5cccnc5s4)CC3)CC2)c(OC)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 11/20 0.54
RORC P51449 1/20 0.36
DHODH Q02127 1/20 0.36
EHMT2 Q96KQ7 4/20 0.33
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
POLB P06746 1/20 0.32
SLC2A1 P11166 1/20 0.32
LTA4H P09960 1/20 0.32

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
SCHEMBL4955151 0.86 SSTR5 (0.49) SSTR5RORCDHODHPOLBLTA4H
SCHEMBL4958525 0.83 SSTR5 (0.65) SSTR5RORCDHODHEHMT2
SCHEMBL3571029 0.83 SSTR5 (0.78) SSTR5RORCDHODHEHMT2
SCHEMBL4955177 0.81 SSTR5 (0.70) SSTR5LTA4H
SCHEMBL4952469 0.80 SSTR5 (0.61) SSTR5EHMT2LTA4H
SCHEMBL4954437 0.80 SSTR5 (0.48) SSTR5RORCDHODHPOLBLTA4H
SCHEMBL4955756 0.80 SSTR5 (0.59) SSTR5LTA4H
SCHEMBL4958304 0.77 SSTR5 (0.57) SSTR5LTA4H
SCHEMBL4958527 0.72 SSTR5 (0.43) SSTR5HTR1A
SCHEMBL3571056 0.71 SSTR5 (1.00) SSTR5

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-1858901-B1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2008-11-05 EP disclosed