SCHEMBL7140590

SCHEMBL7140590

CN1CCC(C2(O)c3ccccc3CCn3c(-c4ccncc4)nnc32)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
MAPK1 P28482 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.42
USP2 O75604 1/20 0.35
KDM1A O60341 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
MAPK14 Q16539 3/20 0.33
CSNK1D P48730 1/20 0.33
MAPK11 Q15759 2/20 0.31
HRH1 P35367 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 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
SCHEMBL7176890 0.92 MAPK1 (0.61) SMN1; SMN2MAPK1L3MBTL1KDM1ACHRM2
SCHEMBL7177984 0.85 MAPK1 (0.64) SMN1; SMN2MAPK1L3MBTL1KDM1ACHRM2
SCHEMBL7142067 0.77 MAPK1 (0.64) SMN1; SMN2MAPK1L3MBTL1KDM1ACHRM2
SCHEMBL8709456 0.72 MAPK1 (0.72) SMN1; SMN2MAPK1L3MBTL1KDM1ACHRM2
SCHEMBL13921299 0.72 MAPK1 (0.82) SMN1; SMN2MAPK1L3MBTL1CHRM2CHRM4
SCHEMBL6988444 0.71 SMN1; SMN2 (0.58) SMN1; SMN2MAPK1L3MBTL1KDM1ACHRM2
SCHEMBL11204393 0.68 MAPK1 (0.68) SMN1; SMN2MAPK1L3MBTL1KDM1ACHRM2
SCHEMBL9039655 0.67 MAPK1 (0.72) SMN1; SMN2MAPK1L3MBTL1KDM1ACHRM2
SCHEMBL10409949 0.66 MAPK1 (0.79) SMN1; SMN2MAPK1L3MBTL1KDM1ACHRM2
SCHEMBL11521605 0.66 MAPK1 (0.79) SMN1; SMN2MAPK1L3MBTL1KDM1ACHRM2

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-0675887-B1 ANTIALLERGIC TRIAZOLOBENZAZEPINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-04-02 EP disclosed