SCHEMBL3586536

SCHEMBL3586536

CC(C)(C)c1ccc(CN(CCc2cccc(C(F)(F)F)c2)C(=O)c2cc(Cl)cnc2NC2CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.37
BTK Q06187 1/20 0.37
NAMPT P43490 1/20 0.36
CRHR1 P34998 3/20 0.36
CNR1 P21554 1/20 0.36
SLC2A1 P11166 1/20 0.36
S1PR1 P21453 1/20 0.36
GRK5 P34947 1/20 0.36
CDK8 P49336 1/20 0.36
S1PR5 Q9H228 1/20 0.36
CETP P11597 1/20 0.36
CCNT1 O60563 1/20 0.36
AXL P30530 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
LMNA P02545 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
SMYD3 Q9H7B4 1/20 0.35
HPGD P15428 1/20 0.35
HDAC3 O15379 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
SCHEMBL3576670 0.93 MCHR1 (0.38) MCHR1NAMPTCRHR1CNR1SLC2A1
SCHEMBL3570653 0.90 CNR1 (0.39) NAMPTCNR1SLC2A1CETPLMNA
SCHEMBL3580209 0.88 MCHR1 (0.40) MCHR1BTKCRHR1HDAC8HPGD
SCHEMBL3577185 0.86 LMNA (0.40) CNR1S1PR1GRK5CDK8S1PR5
SCHEMBL3573226 0.83 CNR1 (0.37) NAMPTCNR1SLC2A1S1PR1GRK5
SCHEMBL3581186 0.83 CNR1 (0.39) NAMPTCNR1SLC2A1LMNAHDAC8
SCHEMBL3583456 0.82 CNR1 (0.38) NAMPTCNR1SLC2A1S1PR1GRK5
SCHEMBL3579944 0.82 MCHR1 (0.39) MCHR1CRHR1
SCHEMBL3586134 0.82 SLC2A1 (0.36) NAMPTCNR1SLC2A1S1PR1GRK5
SCHEMBL3574398 0.82 STAT3 (0.37) NAMPTCNR1SLC2A1S1PR1GRK5

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