SCHEMBL6987686

SCHEMBL6987686

CCN(CC)CCOc1cc(-c2ccc(=O)n(C(C)C)n2)n(-c2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.45
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KCNH2 Q12809 1/20 0.38
MCHR1 Q99705 1/20 0.38
HTT P42858 1/20 0.36
LYN P07948 1/20 0.36
SRC P12931 1/20 0.36
BTK Q06187 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL6983312 0.90 HTT (0.37) TSHRALDH1A1HTTSMN1; SMN2
SCHEMBL6987419 0.89 ALDH1A1 (0.43) TSHRALDH1A1HTTSMN1; SMN2
SCHEMBL6984423 0.87 ATM (0.38) ALDH1A1HTT
SCHEMBL6987183 0.87 TSHR (0.45) TSHRALDH1A1HTTSMN1; SMN2
SCHEMBL6987971 0.85 HTT (0.38) TSHRALDH1A1HTTSMN1; SMN2
SCHEMBL6987611 0.83 SIGMAR1 (0.44) SIGMAR1
SCHEMBL6990721 0.82 SIGMAR1 (0.46) SIGMAR1KCNH2
SCHEMBL6986812 0.81 ALDH1A1 (0.40) TSHRALDH1A1HTTSMN1; SMN2
SCHEMBL6986605 0.81 HTT (0.48) TSHRALDH1A1HTTSMN1; SMN2
SCHEMBL6982995 0.81 HRH3 (0.39)

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