SCHEMBL3583345

SCHEMBL3583345

N#CCNc1ccc(Cl)cc1C(=O)N(CCc1ccc(Cl)cc1)Cc1ccc(C2CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 3/20 0.40
LSS P48449 1/20 0.36
SERPINE1 P05121 2/20 0.36
MBTPS1 Q14703 1/20 0.35
LPAR1 Q92633 2/20 0.35
LPAR5 Q9H1C0 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CCR1 P32246 3/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL3583688 0.90 C5AR1 (0.42) C5AR1LSSSERPINE1MBTPS1LPAR1
SCHEMBL3581049 0.89 C5AR1 (0.43) C5AR1LSSSERPINE1MBTPS1LPAR1
SCHEMBL3577795 0.88 LMNA (0.38) C5AR1CCR1MEN1HPGDKMT2A
SCHEMBL3576631 0.86 CNR1 (0.38) C5AR1LPAR1LPAR5
SCHEMBL3581174 0.85 LMNA (0.37) C5AR1CCR1MEN1HPGDKMT2A
SCHEMBL3583612 0.84 KDM4E (0.40) C5AR1SERPINE1LPAR1LPAR5OPRM1
SCHEMBL3576382 0.83 STAT3 (0.38) LPAR1LPAR5FFAR4
SCHEMBL3584684 0.83 C5AR1 (0.39) C5AR1LPAR1LPAR5NPC1ALDH1A1
SCHEMBL3576449 0.82 LPAR1 (0.39) C5AR1LPAR1LPAR5LPAR2
SCHEMBL3576767 0.79 SERPINE1 (0.38) C5AR1SERPINE1OPRM1OPRD1ALDH1A1

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