SCHEMBL3587595

SCHEMBL3587595

CNc1ccccc1C(=O)N(CCc1ccc(Cl)cc1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.49
CNR1 P21554 1/20 0.42
ESRRG P62508 4/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
RCE1 Q9Y256 1/20 0.40
LPAR1 Q92633 2/20 0.38
LPAR5 Q9H1C0 2/20 0.38
NR1H4 Q96RI1 1/20 0.38
ESRRB O95718 1/20 0.38
POLB P06746 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL3584396 0.89 C5AR1 (0.44) C5AR1CNR1ESRRGKMT2AMEN1
SCHEMBL3575452 0.89 KMT2A (0.42) C5AR1ESRRGKMT2AMEN1NR1H4
SCHEMBL3570707 0.88 C5AR1 (0.39) C5AR1ESRRGKMT2ALPAR1LPAR5
SCHEMBL3578799 0.86 TP53 (0.39) C5AR1ESRRGKMT2ARCE1LPAR1
SCHEMBL3574076 0.84 HDAC1 (0.52) LPAR1LPAR5HDAC1HDAC6
SCHEMBL3581107 0.83 RAB9A (0.37) C5AR1ESRRGKMT2ANR1H4ESRRB
SCHEMBL3580741 0.83 C5AR1 (0.40) C5AR1KMT2AMEN1LPAR1LPAR5
SCHEMBL3579507 0.83 HDAC8 (0.41) KMT2AMEN1NR1H4PTGESHDAC1
SCHEMBL3579634 0.82 SERPINE1 (0.40) C5AR1ESRRGKMT2AMEN1CYP1A2
SCHEMBL3575602 0.81 LPAR1 (0.38) ESRRGKMT2ALPAR1LPAR5NR1H4

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