SCHEMBL4955756

SCHEMBL4955756

COc1ccc(CN2CCC(N(c3nc4cccnc4s3)C3CCN(Nc4nc5cccnc5s4)CC3)CC2)cc1OCC(C)C

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 15/20 0.59
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
LTA4H P09960 1/20 0.39
ALK Q9UM73 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL4955177 0.92 SSTR5 (0.70) SSTR5HRH1HTR2BLTA4H
SCHEMBL4952469 0.91 SSTR5 (0.61) SSTR5HRH1HTR2BLTA4H
SCHEMBL4955761 0.84 SSTR5 (0.69) SSTR5HRH1HTR2BACHE
SCHEMBL3583834 0.83 SSTR5 (0.83) SSTR5HRH1HTR2BACHE
SCHEMBL4958304 0.83 SSTR5 (0.57) SSTR5HRH1HTR2BLTA4H
SCHEMBL4955151 0.83 SSTR5 (0.49) SSTR5LTA4HBCHEACHEKDM4E
SCHEMBL4958519 0.80 SSTR5 (0.54) SSTR5LTA4H
SCHEMBL4954437 0.76 SSTR5 (0.48) SSTR5LTA4HNPSR1KDM4EALDH1A1
SCHEMBL4955178 0.76 SSTR5 (0.81) SSTR5HRH1HTR2B
SCHEMBL4952476 0.75 SSTR5 (0.72) SSTR5HRH1HTR2B

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