SCHEMBL3582301

SCHEMBL3582301

CNc1ncc(Cl)cc1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(C(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.40
PTGER4 P35408 1/20 0.39
CETP P11597 4/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CNR1 P21554 1/20 0.38
SLC2A1 P11166 2/20 0.38
PTGES O14684 2/20 0.37
HPGD P15428 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.35

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
SCHEMBL3570789 0.92 CNR1 (0.39) NAMPTLMNAMEN1CYP1A2CYP3A4
SCHEMBL3581186 0.91 CNR1 (0.39) NAMPTLMNAMEN1CYP1A2CYP3A4
SCHEMBL3570653 0.91 CNR1 (0.39) NAMPTCETPLMNAMEN1CYP1A2
SCHEMBL3583456 0.90 CNR1 (0.38) NAMPTLMNAMEN1CYP1A2CYP3A4
SCHEMBL3584052 0.88 PTGER4 (0.43) PTGER4CETPCYP3A4CYP2D6ATM
SCHEMBL3573226 0.88 CNR1 (0.37) NAMPTCETPLMNAMEN1CYP1A2
SCHEMBL3575614 0.88 CNR1 (0.37) NAMPTLMNAMEN1CYP1A2CYP3A4
SCHEMBL3575233 0.88 SLC2A1 (0.42) NAMPTCETPLMNAMEN1CYP1A2
SCHEMBL1397656 0.87 CETP (0.39) NAMPTCETPLMNAMEN1CYP1A2
SCHEMBL3574398 0.86 STAT3 (0.37) NAMPTCETPLMNAMEN1CYP1A2

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