SCHEMBL7687220

SCHEMBL7687220

Cc1nc(NC(C)c2ccc(C(C)C)cc2Br)nc(C(=O)O)c1C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.34
IDH1 O75874 3/20 0.33
SORT1 Q99523 1/20 0.33
PFKFB3 Q16875 2/20 0.33
EIF4A3 P38919 1/20 0.32
ADORA2A P29274 2/20 0.32
ADORA2B P29275 2/20 0.32
DHODH Q02127 2/20 0.32
PDE10A Q9Y233 1/20 0.31
COPS5 Q92905 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
SCHEMBL7678044 0.81 MEN1 (0.40) CRHR1SORT1PFKFB3EIF4A3DHODH
SCHEMBL7687217 0.77 CRHR1 (0.33) CRHR1SORT1PFKFB3EIF4A3COPS5
SCHEMBL7678171 0.74 IDH1 (0.39) CRHR1IDH1
SCHEMBL7680571 0.68 RAB9A (0.43)
SCHEMBL3189801 0.62 LMNA (0.41) CRHR1
SCHEMBL12304013 0.62 DHODH (0.44) CRHR1SORT1EIF4A3DHODH
SCHEMBL24679021 0.59 EIF4A3 (0.37) EIF4A3DHODHCOPS5
SCHEMBL28271921 0.59 POLB (0.50) SORT1EIF4A3DHODH
SCHEMBL1795934 0.58 SMN1; SMN2 (0.41) SORT1
SCHEMBL11852129 0.58 FABP4 (0.39)

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-6342503-B1 ANTIDEPRESSANTS, EATING DISORDERS DUPONT PHARMACEUTICALS COMPANY 2002-01-29 US disclosed