SCHEMBL3583620

SCHEMBL3583620

O=C(c1cc(Cl)cnc1NC1CC1)N(CCc1ccc(F)cc1)Cc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.40
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
CETP P11597 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
GAS6 Q14393 1/20 0.34
SLC2A1 P11166 1/20 0.34
C5AR1 P21730 1/20 0.34
CRHR1 P34998 3/20 0.34
CYP2D6 P10635 1/20 0.34
RORC P51449 3/20 0.33
CRHR2 Q13324 1/20 0.33
NLRP3 Q96P20 1/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
F7 P08709 1/20 0.33
TACR1 P25103 1/20 0.33
IRAK4 Q9NWZ3 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
SCHEMBL3579944 0.91 MCHR1 (0.39) MCHR1C5AR1CRHR1TACR1
SCHEMBL3576670 0.89 MCHR1 (0.38) MCHR1LMNACETPSLC2A1CRHR1
SCHEMBL3579477 0.88 MCHR1 (0.37) MCHR1KDM4ELMNAGAASLC2A1
SCHEMBL3569329 0.82 C5AR1 (0.41) C5AR1F10
SCHEMBL3574217 0.82 MCHR1 (0.37) MCHR1KDM4ELMNAGAASLC2A1
SCHEMBL3586536 0.81 MCHR1 (0.37) MCHR1LMNACETPTYRO3MERTK
SCHEMBL3580209 0.81 MCHR1 (0.40) MCHR1CRHR1IRAK4
SCHEMBL3587988 0.81 MCHR1 (0.39) MCHR1KDM4ELMNAGAANLRP3
SCHEMBL3577776 0.79 MCHR1 (0.37) MCHR1NLRP3F2F10F7
SCHEMBL3576972 0.78 BTK (0.36) CRHR1

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 1 patent. 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