SCHEMBL6983913

SCHEMBL6983913

CC(C)n1nc(-c2cc(OC3CCN(C)CC3)nn2-c2ccccc2)ccc1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.47
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
CACNB4 O00305 5/20 0.37
CACNA1A O00555 5/20 0.37
CACNA1G O43497 5/20 0.37
CACNG3 O60359 5/20 0.37
CACNA1F O60840 5/20 0.37
CACNA1H O95180 5/20 0.37
CACNB3 P54284 5/20 0.37
CACNA2D1 P54289 5/20 0.37
CACNG7 P62955 5/20 0.37
CACNA1B Q00975 5/20 0.37
CACNA1D Q01668 5/20 0.37
CACNB1 Q02641 5/20 0.37
CACNG1 Q06432 5/20 0.37
CACNB2 Q08289 5/20 0.37

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
SCHEMBL7141579 0.89 CACNB4 (0.47) HRH3CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL6986145 0.88 HRH3 (0.43) HRH3CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL6986812 0.81 ALDH1A1 (0.40) SMN1; SMN2
SCHEMBL6985846 0.80 BCL2 (0.41) SMN1; SMN2
SCHEMBL6987611 0.79 SIGMAR1 (0.44)
SCHEMBL6982469 0.79 CYP2C9 (0.39) SMN1; SMN2
SCHEMBL6987595 0.79 TDP1 (0.42) SMN1; SMN2
SCHEMBL6984622 0.79 AGTR2 (0.39) HRH3SMN1; SMN2
SCHEMBL6984642 0.78 HRH3 (0.39) HRH3
SCHEMBL6987183 0.78 TSHR (0.45) SMN1; SMN2

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