SCHEMBL7133111

SCHEMBL7133111

CN(Cc1cccc(F)c1)c1ccnc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.46
GBA1 P04062 1/20 0.42
TYMS P04818 5/20 0.41
TAAR1 Q96RJ0 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
MAOB P27338 1/20 0.39
APP P05067 2/20 0.39
PIK3CD O00329 1/20 0.39
LMNA P02545 1/20 0.39
PIK3R1 P27986 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
GRM4 Q14833 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSPO P30536 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL30307401 0.84 HRH3 (0.53) HRH3GBA1PIK3CDLMNAPIK3R1
SCHEMBL15453232 0.72 HRH3 (0.56) HRH3KDM4E
SCHEMBL31457947 0.71 PTGS1 (0.51) MAOBLMNASMN1; SMN2L3MBTL1
SCHEMBL12772106 0.70 MEN1 (0.55) TAAR1MEN1KMT2AOPRM1OPRL1
SCHEMBL16596266 0.70 HRH3 (0.64) HRH3GBA1MEN1KMT2AL3MBTL1
SCHEMBL827779 0.69 HRH3 (0.51) HRH3KDM4E
SCHEMBL15453256 0.69 HRH3 (0.56) HRH3MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL9652160 0.68 HRH3 (0.62) HRH3LMNASMN1; SMN2
SCHEMBL171949 0.68 TAAR1 (0.66) TAAR1MEN1KMT2AOPRM1OPRL1
SCHEMBL30798825 0.68 TAAR1 (0.66) TAAR1MEN1KMT2AOPRM1OPRL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339706-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2003-09-03 EP disclosed
WO-2002036586-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2002-05-10 WO disclosed