SCHEMBL7136245

SCHEMBL7136245

CN1CCC(C2(O)c3ccc(F)cc3CCn3ncnc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
SRD5A1 P18405 1/20 0.35
MEN1 O00255 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TDO2 P48775 1/20 0.33
NTRK1 P04629 1/20 0.33
DYRK1A Q13627 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
HTR1F P30939 1/20 0.31
TRPA1 O75762 1/20 0.31
NOTUM Q6P988 1/20 0.31
MET P08581 1/20 0.31
SCD O00767 2/20 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
SCHEMBL7141281 0.81 MAPK1 (0.44) SMN1; SMN2MAPK1MEN1L3MBTL1KMT2A
SCHEMBL7141826 0.76 MAPK1 (0.46) SMN1; SMN2MAPK1L3MBTL1
SCHEMBL8248389 0.76 MAPK1 (0.40) SMN1; SMN2MAPK1L3MBTL1
SCHEMBL9832235 0.75 MAPK1 (0.53) SMN1; SMN2MAPK1SRD5A1L3MBTL1KMT2A
SCHEMBL10409949 0.69 MAPK1 (0.79) SMN1; SMN2MAPK1L3MBTL1KMT2AHTR1A
SCHEMBL6198988 0.67 MAPK1 (0.54) SMN1; SMN2MAPK1L3MBTL1KMT2AHTR1A
SCHEMBL14430433 0.66 MAPK1 (0.40) SMN1; SMN2MAPK1SRD5A1KMT2AHTR1F
SCHEMBL11574443 0.65 MAPK1 (0.46) SMN1; SMN2MAPK1L3MBTL1KMT2AMAPT
SCHEMBL6970399 0.65 MAPK1 (0.59) SMN1; SMN2MAPK1SRD5A1L3MBTL1HTR1A
SCHEMBL11574947 0.65 MAPK1 (0.54) SMN1; SMN2MAPK1MEN1L3MBTL1KMT2A

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