SCHEMBL3580332

SCHEMBL3580332

CNc1ncc(Cl)cc1C(=O)N(CCc1ccc(C)cc1)Cc1ccc(C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
LPAR1 Q92633 4/20 0.34
NR3C1 P04150 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CRHR1 P34998 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
MLYCD O95822 1/20 0.32
F10 P00742 2/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
HSP90AA1 P07900 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL3581889 0.95 C5AR1 (0.40) C5AR1CRHR1KMT2AMEN1F10
SCHEMBL3574217 0.93 MCHR1 (0.37) C5AR1LPAR1KDM4EKMT2AMEN1
SCHEMBL3569329 0.88 C5AR1 (0.41) C5AR1KMT2AMEN1MLYCDF10
SCHEMBL3583456 0.88 CNR1 (0.38) C5AR1HPGDKMT2AMEN1HDAC1
SCHEMBL3579477 0.86 MCHR1 (0.37) C5AR1LPAR1KDM4EKMT2AMEN1
SCHEMBL3571746 0.86 SLC2A1 (0.41) LPAR1KDM4EKMT2AMEN1LPAR5
SCHEMBL3582130 0.85 CNR1 (0.40) LPAR1TRPM8LPAR5
SCHEMBL3571528 0.84 TP53 (0.41) C5AR1TP53MAPTLPAR1KDM4E
SCHEMBL3574238 0.84 MLYCD (0.35) C5AR1MLYCDF10TRPM8HSP90AA1
SCHEMBL3581186 0.82 CNR1 (0.39) C5AR1HPGDKMT2AMEN1HDAC1

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