SCHEMBL13145451

SCHEMBL13145451

CC1[C@H](C)C[C@@H](c2ncc(-c3ccc(Br)cc3)[nH]2)N1C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.43
PRCP P42785 8/20 0.40
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
KCNK3 O14649 1/20 0.37
KCNK9 Q9NPC2 1/20 0.37
HPGDS O60760 1/20 0.36

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
SCHEMBL15850406 1.00 HTR2C (0.43) HTR2CPRCPMAPK13MAPK12MAPK11
SCHEMBL855900 0.86 HTR2C (0.40) HTR2CPRCPMAPK13MAPK12MAPK11
SCHEMBL825064 0.86 HTR2C (0.40) HTR2CPRCPMAPK13MAPK12MAPK11
SCHEMBL13145270 0.85 DGAT1 (0.42) HTR2CPRCPOPRM1OPRD1
SCHEMBL14929968 0.83 HPGDS (0.43) PRCPMAPK13MAPK12MAPK11MAPK14
SCHEMBL10236927 0.83 HPGDS (0.43) PRCPMAPK13MAPK12MAPK11MAPK14
SCHEMBL853975 0.82 HPGDS (0.43) HTR2CPRCPHPGDS
SCHEMBL13145752 0.82 HPGDS (0.43) HTR2CPRCPHPGDS
SCHEMBL12175178 0.81 PRCP (0.43) PRCPMAPK13MAPK12MAPK11MAPK14
SCHEMBL12175265 0.80 CFD (0.41) PRCPMAPK13MAPK12MAPK11MAPK14

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
WO-2010117977-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-14 WO disclosed