SCHEMBL2930504

SCHEMBL2930504

COc1cccc(CN2CCN(OC(=O)Nc3nc4c(OC)ncnc4s3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.45
GPR6 P46095 1/20 0.43
ALDH1A1 P00352 6/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HTT P42858 1/20 0.43
PHGDH O43175 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
GAA P10253 3/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 5/20 0.43
ATM Q13315 1/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 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
SCHEMBL2928449 0.93 GPR6 (0.46) FAAHGPR6ALDH1A1MEN1KMT2A
SCHEMBL2925605 0.93 FAAH (0.40) FAAHGPR6ALDH1A1MEN1KMT2A
SCHEMBL2931360 0.92 GPR6 (0.47) FAAHGPR6
SCHEMBL2931169 0.92 OGA (0.38) FAAHGPR6MEN1KMT2ALMNA
SCHEMBL2930506 0.91 GPR6 (0.38) GPR6ALDH1A1MEN1KMT2ALMNA
SCHEMBL3049811 0.91 MEN1 (0.42) FAAHALDH1A1MEN1KMT2APHGDH
SCHEMBL2929411 0.91 ADORA2A (0.41) ALDH1A1MEN1KMT2AHTTGAA
SCHEMBL2927982 0.89 ADORA2B (0.47) FAAHALDH1A1MEN1KMT2APHGDH
SCHEMBL2931204 0.89 GPR6 (0.47) FAAHGPR6
SCHEMBL1761022 0.88 FAAH (0.58) FAAHALDH1A1MEN1KMT2AHTT

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-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP claimed