SCHEMBL9327773

SCHEMBL9327773

CCCC1(c2cncn2C)Cc2ccccc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
IDO1 P14902 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PRNP P04156 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
SCHEMBL9324661 0.91 NPSR1 (0.40) NPSR1HTTLMNAL3MBTL1GAA
SCHEMBL9326821 0.87 NPSR1 (0.37) NPSR1HTTLMNAL3MBTL1GAA
SCHEMBL9327660 0.79 NPSR1 (0.38) NPSR1HTTLMNAL3MBTL1GAA
SCHEMBL9326834 0.77 NPSR1 (0.39) NPSR1HTTLMNAL3MBTL1GAA
SCHEMBL9324708 0.73 NPSR1 (0.38) NPSR1HTTLMNAL3MBTL1GAA
SCHEMBL9431991 0.72 NPSR1 (0.40) NPSR1HTTLMNAL3MBTL1GAA
SCHEMBL31034847 0.72 ADRA2A (0.50) NPSR1ALDH1A1HTR2CIDO1
SCHEMBL9325913 0.72 ADRA2A (0.50) NPSR1ALDH1A1HTR2CIDO1
SCHEMBL13253339 0.71 NPSR1 (0.57) NPSR1HTTLMNAL3MBTL1GAA
SCHEMBL9326720 0.71 NPSR1 (0.40) NPSR1HTTLMNAL3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0372954-B1 Substituted imidazole derivatives and their preparation and use ORION YHTYMAE OY (FI) 1994-03-09 EP claimed
US-5292887-A Antgonists at postsynoptic adrenoreceptors; hypotensive and antidiabetic agents FARMOS-YHTYMA OY (FI) 1994-03-08 US claimed
US-5292887-A Antgonists at postsynoptic adrenoreceptors; hypotensive and antidiabetic agents FARMOS-YHTYMA OY (FI) 1994-03-08 US disclosed