SCHEMBL3244940

SCHEMBL3244940

C=CCN1CCCC(C(=O)OC)C1C1Cc2cc(OC)ccc2N1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.37
DRD3 P35462 5/20 0.37
DRD4 P21917 4/20 0.37
HTR1A P08908 6/20 0.36
HSD17B10 Q99714 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
DRD1 P21728 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
KCNH2 Q12809 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
SCHEMBL3244851 0.87 HTR1A (0.40) DRD2DRD4HTR1A
SCHEMBL3244846 0.87 HTR1A (0.40) DRD2DRD4HTR1A
SCHEMBL3243453 0.77 MEN1 (0.40) HSD17B10
SCHEMBL3242790 0.74 HRH3 (0.38) HTR1AHRH3
SCHEMBL3249870 0.73 MAPT (0.37) SLC6A4
SCHEMBL3244944 0.71 HTR1A (0.35) DRD2DRD4HTR1A
SCHEMBL3243831 0.70 KMT2A (0.44) DRD2DRD4HSD17B10SLC6A4
SCHEMBL3820385 0.67 HSD17B10 (0.48) HSD17B10CA1CA2CA9CA14
SCHEMBL7336655 0.66 NOTUM (0.48) HSD17B10CA1CA2
SCHEMBL7343636 0.66 NOTUM (0.48) HSD17B10CA1CA2

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
EP-2102204-B1 NEW AMINOPYRROLO[1,2- A]INDOLE ET AMINOPYRIDAZINO[1,6-A]INDOLE DERIVATIVES, METHOD FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SERVIER LAB (FR) 2010-05-05 EP disclosed