SCHEMBL4045145

SCHEMBL4045145

CCN1CCC(CCCN[C]=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.39
HSD11B1 P28845 3/20 0.39
SIGMAR1 Q99720 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRM4 P08173 1/20 0.36
EPHX1 P07099 2/20 0.35
EPHX2 P34913 1/20 0.34
GNAO1 P09471 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GNAI3 P08754 1/20 0.33
GNAI1 P63096 1/20 0.33
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL3947855 0.90 HRH3 (0.41) HRH3HSD11B1SMN1; SMN2CHRM4EPHX1
SCHEMBL3955895 0.87 GNAO1 (0.40) HRH3SIGMAR1CHRM4EPHX1EPHX2
SCHEMBL3949734 0.81 SIGMAR1 (0.37) HRH3SIGMAR1SMN1; SMN2CHRM4GNAO1
SCHEMBL1678409 0.80
SCHEMBL3950649 0.80 CHRM1 (0.40) HRH3SIGMAR1CHRM4GNAO1ALDH1A1
SCHEMBL3932994 0.79 EPHX1 (0.43) HRH3HSD11B1SMN1; SMN2EPHX1EPHX2
SCHEMBL22856387 0.79 SIGMAR1 (0.48) HRH3HSD11B1SIGMAR1SMN1; SMN2EPHX1
SCHEMBL31273045 0.78 HRH3 (0.46) HRH3HSD11B1SMN1; SMN2CHRM4EPHX1
SCHEMBL28149564 0.78 HRH3 (0.46) HRH3HSD11B1SMN1; SMN2CHRM4EPHX1
SCHEMBL3956738 0.78 MEN1 (0.39) SIGMAR1EPHX1EPHX2GNAO1GNAI3

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-2009024825-A1 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed