SCHEMBL6428640

SCHEMBL6428640

COc1c(Oc2c(C)cc(C)cc2C)ncc(C)c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
CRHR1 P34998 3/20 0.34
ABCC3 O15438 1/20 0.34
ESR1 P03372 1/20 0.34
CYP1A2 P05177 1/20 0.34
PGR P06401 1/20 0.34
CHRM2 P08172 1/20 0.34
ABCB1 P08183 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADRA2A P08913 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM1 P11229 1/20 0.34
CYP2C9 P11712 1/20 0.34
DRD1 P21728 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34
ADORA1 P30542 1/20 0.34
CYP2C19 P33261 1/20 0.34
ABCC1 P33527 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
SCHEMBL5844075 0.71 CRHR1 (0.46) MAPTL3MBTL1CRHR1
SCHEMBL29755825 0.67 AGXT (0.34) MAPT
SCHEMBL9275751 0.67 AGXT (0.34) MAPT
SCHEMBL129762 0.67 ACHE (0.57) MAPTL3MBTL1CYP3A4ACHELMNA
SCHEMBL17648117 0.67 HSD17B10 (0.39) CRHR1LMNAKDM4E
SCHEMBL5842994 0.67 CRHR1 (0.38) CRHR1
SCHEMBL5085895 0.67 MAPT (0.51) MAPTL3MBTL1ACHELMNAKDM4E
SCHEMBL16088857 0.65 PTPN1 (0.53) MAPTL3MBTL1ACHE
SCHEMBL242786 0.65 RAPGEF4 (0.43) MAPTCRHR1ACHELMNAKDM4E
SCHEMBL5843677 0.65 NNMT (0.38) CRHR1LMNA

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
US-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed