SCHEMBL3581450

SCHEMBL3581450

CNc1ccccc1C(=O)N(CCc1cccc(OC(F)F)c1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.41
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
LPAR1 Q92633 4/20 0.39
LPAR5 Q9H1C0 3/20 0.39
PTGER2 P43116 2/20 0.38
KMT2A Q03164 2/20 0.38
TAS2R14 Q9NYV8 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA9 Q16790 1/20 0.37
HTR5A P47898 1/20 0.36
SLC2A1 P11166 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
SCHEMBL3570220 0.91 KDM5A (0.40) LPAR1LPAR5PTGER2KMT2AHCRTR1
SCHEMBL3569982 0.90 LPAR1 (0.41) MEP1BMAPTTSHRLPAR1LPAR5
SCHEMBL3579507 0.85 HDAC8 (0.41) KMT2APPARGPPARANR1H4SLC2A1
SCHEMBL3575452 0.81 KMT2A (0.42) KMT2APPARGPPARANR1H4MEN1
SCHEMBL3570707 0.81 C5AR1 (0.39) MAPTLPAR1LPAR5KMT2APPARG
SCHEMBL3578799 0.81 TP53 (0.39) MAPTLPAR1LPAR5KMT2APPARG
SCHEMBL3575602 0.80 LPAR1 (0.38) MAPTLPAR1LPAR5KMT2AHCRTR1
SCHEMBL3587595 0.80 C5AR1 (0.49) LPAR1LPAR5KMT2ANR1H4PTGES
SCHEMBL3581034 0.77 LPAR1 (0.36) MEP1BMAPTLPAR1LPAR5PPARG
SCHEMBL3574076 0.77 HDAC1 (0.52) LPAR1LPAR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed