SCHEMBL7370971

SCHEMBL7370971

CC(C)(C)NC(=O)C(N)Cc1ccc(NCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.51
FFAR4 Q5NUL3 2/20 0.51
PPARG P37231 2/20 0.48
PPARA Q07869 2/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
MAPK1 P28482 1/20 0.46
GFER P55789 1/20 0.46
ALPI P09923 1/20 0.45
PKM P14618 1/20 0.45
PTGS1 P23219 1/20 0.45
XIAP P98170 1/20 0.45
SLC7A5 Q01650 1/20 0.45
HTT P42858 1/20 0.44
CTSC P53634 1/20 0.44
TPH1 P17752 1/20 0.44

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
SCHEMBL22369889 0.88 ALPI (0.58) MAPTALPIPKMPTGS1XIAP
SCHEMBL12234221 0.88 ALPI (0.58) MAPTALPIPKMPTGS1XIAP
SCHEMBL7370891 0.85 SLC7A5 (0.51) MAPTALPIPKMPTGS1XIAP
SCHEMBL7370894 0.85 SLC7A5 (0.51) MAPTALPIPKMPTGS1XIAP
SCHEMBL7344645 0.82 MMP1 (0.48) KMT2A
SCHEMBL1104659 0.82 SLC7A5 (0.69) FFAR1FFAR4PPARGPPARACA1
SCHEMBL4867804 0.81 FFAR1 (0.50) FFAR1FFAR4PPARGPPARACA1
SCHEMBL27323060 0.80 FFAR1 (0.55) FFAR1FFAR4PPARGPPARACA1
Hydrochloric Acid SCHEMBL3498506 0.79 CA1 (0.56) FFAR1FFAR4PPARGPPARACA1
Hydrochloric Acid SCHEMBL3498503 0.79 CA1 (0.56) FFAR1FFAR4PPARGPPARACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6117841-A USED TO TREAT STROKE, CEREBRAL ISCHEMIA, PAIN, HEAD TRAUMA OR EPILEPSY WARNER-LAMBERT COMPANY (US) 2000-09-12 US claimed
WO-1998054123-A1 SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1998-12-03 WO claimed
US-6117841-A USED TO TREAT STROKE, CEREBRAL ISCHEMIA, PAIN, HEAD TRAUMA OR EPILEPSY WARNER-LAMBERT COMPANY (US) 2000-09-12 US disclosed