SCHEMBL3581310

SCHEMBL3581310

CCNc1ccc(Cl)cc1C(=O)N(CCc1ccc(F)c(C(F)(F)F)c1)Cc1ccc(C2CCC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.35
CCR1 P32246 3/20 0.35
P2RX7 Q99572 2/20 0.34
EPHX1 P07099 1/20 0.33
UBE2M P61081 2/20 0.33
DCUN1D1 Q96GG9 2/20 0.33
C5AR1 P21730 1/20 0.33
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
MBTPS1 Q14703 1/20 0.32
RPS6KB1 P23443 1/20 0.32
NR3C2 P08235 1/20 0.32
TSHR P16473 1/20 0.32
ENPP2 Q13822 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
SLC6A9 P48067 1/20 0.32
KCNH2 Q12809 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
SCHEMBL3570645 0.98 SERPINE1 (0.37) SERPINE1CCR1P2RX7EPHX1UBE2M
SCHEMBL3583457 0.89 LMNA (0.39) SERPINE1CCR1C5AR1CYP3A4CYP2D6
SCHEMBL3576767 0.88 SERPINE1 (0.38) SERPINE1C5AR1TSHRCYP3A4CYP2D6
SCHEMBL3584132 0.87 LMNA (0.39) SERPINE1CCR1EPHX1C5AR1CYP3A4
SCHEMBL3579734 0.86 SERPINE1 (0.40) SERPINE1C5AR1TSHRCYP3A4CYP2D6
SCHEMBL3577493 0.85 LMNA (0.40) CCR1C5AR1CYP3A4CYP2D6
SCHEMBL3583688 0.85 C5AR1 (0.42) SERPINE1CCR1C5AR1MBTPS1
SCHEMBL3574145 0.85 SCN9A (0.39) SLC6A9KCNH2
SCHEMBL3575607 0.82 CNR1 (0.40) SLC6A9KCNH2
SCHEMBL3581174 0.81 LMNA (0.37) CCR1C5AR1CYP3A4CYP2D6

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 4 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
CN-101379036-B Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE 2011-06-01 CN disclosed
CN-101379036-A Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed