SCHEMBL4046089

SCHEMBL4046089

CC(=O)c1ccc(C2CCCCN2C(=O)C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.50
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
NPC1 O15118 3/20 0.40
HTT P42858 2/20 0.40
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.38
ROCK2 O75116 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
SCHEMBL4046232 0.88 RIPK1 (0.51) RIPK1GAAHPGDCCNCCDK8
SCHEMBL4051349 0.83 RIPK1 (0.44) RIPK1GAAHPGDCCNCCDK8
SCHEMBL28171621 0.83 RIPK1 (0.67) RIPK1
SCHEMBL17142307 0.83 RIPK1 (0.48) RIPK1GAAHPGDALDH1A1SMN1; SMN2
SCHEMBL4046460 0.82 MLYCD (0.44) RIPK1GAAHPGDCCNCCDK8
SCHEMBL30878611 0.80 RIPK1 (0.55) RIPK1
SCHEMBL18406194 0.80 NPC1 (0.59) RIPK1GAAHPGDALDH1A1SMN1; SMN2
SCHEMBL27564986 0.80 RIPK1 (0.62) RIPK1
SCHEMBL17142321 0.79 RIPK1 (0.52) RIPK1GAAHPGDALDH1A1SMN1; SMN2
SCHEMBL1576663 0.79 RIPK1 (0.73) RIPK1

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-2009103478-A1 PYRIDONE AND PYRIDAZINONE DERIVATIVES AS MCH ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-27 WO disclosed