SCHEMBL3583799

SCHEMBL3583799

CC(C)(C)c1ccc(CN(CCc2cccc(OC(F)(F)F)c2)C(=O)c2cc(Cl)ccc2NCC#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.40
LPAR1 Q92633 2/20 0.38
LPAR5 Q9H1C0 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
P2RX1 P51575 1/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
ATM Q13315 1/20 0.36
DDR1 Q08345 1/20 0.35
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
C5AR1 P21730 1/20 0.35
CTSB P07858 1/20 0.34
EPHX2 P34913 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
VNN1 O95497 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
P2RY14 Q15391 1/20 0.34

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
SCHEMBL3583813 0.91 CNR1 (0.41) CNR1LPAR1LPAR5TRPV1P2RX1
SCHEMBL3583852 0.90 LPAR1 (0.41) CNR1LPAR1LPAR5TRPV1P2RX1
SCHEMBL3580626 0.89 LMNA (0.40) CNR1LPAR1LPAR5ATMC5AR1
SCHEMBL3576631 0.89 CNR1 (0.38) CNR1LPAR1LPAR5TRPV1P2RX1
SCHEMBL3577894 0.88 TRPV1 (0.40) CNR1LPAR1LPAR5TRPV1ATM
SCHEMBL3581404 0.88 CNR1 (0.43) CNR1LPAR1LPAR5TRPV1P2RX1
SCHEMBL3576382 0.88 STAT3 (0.38) CNR1LPAR1LPAR5P2RX1KDM5A
SCHEMBL3576346 0.87 CNR1 (0.38) CNR1LPAR1LPAR5TRPV1P2RX1
SCHEMBL3581289 0.87 CNR1 (0.37) CNR1LPAR1LPAR5TRPV1P2RX1
SCHEMBL3576449 0.86 LPAR1 (0.39) LPAR1LPAR5TRPV1ATMC5AR1

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