SCHEMBL3577894

SCHEMBL3577894

N#CCNc1ccc(Cl)cc1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.40
SERPINE1 P05121 1/20 0.39
LPAR1 Q92633 3/20 0.39
LMNA P02545 2/20 0.39
LPAR5 Q9H1C0 2/20 0.39
HPGD P15428 1/20 0.39
SLC2A1 P11166 1/20 0.38
VNN1 O95497 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CNR1 P21554 2/20 0.36
CCR9 P51686 2/20 0.36
AKR1C3 P42330 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
SCHEMBL3581190 0.91 TRPV1 (0.41) TRPV1SERPINE1LPAR1LMNALPAR5
SCHEMBL3575570 0.91 TRPV1 (0.42) TRPV1SERPINE1LPAR1LMNALPAR5
SCHEMBL3576449 0.90 LPAR1 (0.39) TRPV1LPAR1LPAR5CYP3A4ATM
SCHEMBL3580626 0.90 LMNA (0.40) SERPINE1LPAR1LMNALPAR5HPGD
SCHEMBL3583799 0.88 CNR1 (0.40) TRPV1LPAR1LPAR5VNN1ATM
SCHEMBL3581908 0.88 NLRP3 (0.41) TRPV1LPAR1LPAR5SLC2A1CYP3A4
SCHEMBL3577795 0.87 LMNA (0.38) LMNAHPGDMEN1CYP1A2CYP3A4
SCHEMBL3579168 0.85 SLC2A1 (0.41) TRPV1SERPINE1LPAR1LMNALPAR5
SCHEMBL3581174 0.85 LMNA (0.37) LMNAHPGDMEN1CYP1A2CYP3A4
SCHEMBL3577892 0.85 SLC2A1 (0.40) TRPV1SERPINE1LPAR1LMNALPAR5

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