SCHEMBL3578978

SCHEMBL3578978

CNc1ccc(Cl)c(Cl)c1C(=O)N(CCc1ccc(Cl)cc1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ESRRG P62508 5/20 0.40
ESRRB O95718 2/20 0.39
C5AR1 P21730 1/20 0.39
RCE1 Q9Y256 1/20 0.36
POLB P06746 1/20 0.36
NR1H4 Q96RI1 2/20 0.36
EPHX2 P34913 1/20 0.36
LMNA P02545 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CYP2D6 P10635 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL3579938 0.92 MAPT (0.42) CNR1MEN1KMT2AESRRGESRRB
SCHEMBL3583039 0.91 CNR1 (0.43) CNR1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL3577052 0.89 C5AR1 (0.37) CNR1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL3589192 0.87 PPARA (0.39) C5AR1RCE1POLBSMN1; SMN2LPAR1
SCHEMBL3577419 0.85 NR1H4 (0.37) CYP1A2CYP2C19MEN1KMT2AESRRG
SCHEMBL3581360 0.85 MCL1 (0.40) CNR1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL3584396 0.83 C5AR1 (0.44) CNR1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL3583296 0.83 LPAR1 (0.52) C5AR1RCE1EPHX2LPAR1LPAR5
SCHEMBL3581545 0.82 CNR1 (0.40) CNR1NR1H4EPHX2LPAR1LPAR5
SCHEMBL3580876 0.82 LPAR1 (0.36) CNR1C5AR1RCE1EPHX2SMN1; SMN2

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