SCHEMBL6983758

SCHEMBL6983758

CC(C)n1nc(-c2cc(OCC(=O)N3CCNCC3)nn2-c2ccccc2)ccc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ADORA2B P29275 3/20 0.40
ADORA1 P30542 2/20 0.40
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SCN7A Q01118 1/20 0.39
KCNH2 Q12809 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
TSHR P16473 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
LMNA P02545 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
SCHEMBL6987595 0.90 TDP1 (0.42) HTTSMN1; SMN2ADORA2BADORA1ALDH1A1
SCHEMBL6986523 0.90 HTT (0.42) HTTSMN1; SMN2ADORA2BADORA1ALDH1A1
SCHEMBL6986938 0.90 LMNA (0.42) HTTSMN1; SMN2ADORA2BADORA1ALDH1A1
SCHEMBL6986605 0.84 HTT (0.48) HTTSMN1; SMN2ALDH1A1NPSR1TSHR
SCHEMBL6986283 0.80 HTR2C (0.42) HTR2AHTR2CHTR2B
SCHEMBL6987183 0.80 TSHR (0.45) HTTSMN1; SMN2ALDH1A1NPSR1TSHR
SCHEMBL6987611 0.79 SIGMAR1 (0.44)
SCHEMBL6987419 0.78 ALDH1A1 (0.43) HTTSMN1; SMN2ALDH1A1TSHR
SCHEMBL6986145 0.78 HRH3 (0.43) SMN1; SMN2KCNH2TSHR
SCHEMBL6990721 0.77 SIGMAR1 (0.46) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313733-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-28 EP disclosed
WO-2002018382-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-07 WO disclosed