SCHEMBL3946010

SCHEMBL3946010

Nc1cc(CCC2CCCCC2)[nH]n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DAO P14920 4/20 0.46
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
HRH3 Q9Y5N1 3/20 0.38
BRS3 P32247 1/20 0.36
KMT2A Q03164 2/20 0.35
MITF O75030 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
NFE2L2 Q16236 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
CDK9 P50750 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK2 Q92630 1/20 0.34

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
SCHEMBL4010753 0.78 DAO (0.40) DAO
SCHEMBL14723143 0.73 DAO (0.39) DAOGAAHRH3KMT2AMITF
SCHEMBL17950142 0.70
SCHEMBL15728474 0.70 KDM4C (0.38) KMT2AMITFALDH1A1TP53
SCHEMBL14723507 0.69
SCHEMBL1706467 0.69
SCHEMBL9712799 0.68 CYP1A2 (0.40) GPR84
SCHEMBL28224387 0.68 HRH4 (0.50) DAOHRH3BRS3GPR84HRH4
Hydrochloric Acid SCHEMBL1707357 0.67 NPC1 (0.54) GAAKMT2AMITFALDH1A1TP53
SCHEMBL18367452 0.67 CNR1 (0.41) DAOBRS3KMT2AMITFALDH1A1

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
WO-2009016410-A2 CHEMICAL COMPOUNDS 831 ASTRAZENECA AB (SE) 2009-02-05 WO disclosed