SCHEMBL692535

SCHEMBL692535

CC(C)(C)c1ccc(NC(=O)N2C=C(C(=O)O)c3[nH]c4ccccc4c3CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.61
LMNA P02545 1/20 0.47
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NR1H4 Q96RI1 4/20 0.43
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
MCL1 Q07820 1/20 0.42
POLB P06746 1/20 0.41
NAMPT P43490 1/20 0.41

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
SCHEMBL274892 0.87 NR1H4 (0.60) TRPV1LMNAMAPTNR1H4
SCHEMBL5731865 0.86 TRPV1 (0.61) TRPV1LMNAMAPTNR1H4CYP1A2
SCHEMBL5732574 0.86 TRPV1 (0.49) TRPV1LMNAMAPTNPSR1NR1H4
SCHEMBL5732240 0.85 TRPV1 (0.49) TRPV1LMNAMAPTNPSR1NR1H4
SCHEMBL273045 0.79 NR1H4 (0.62) TRPV1MAPTNPSR1NR1H4
SCHEMBL5732428 0.79 NR1H4 (0.47) TRPV1LMNAMAPTNPSR1NR1H4
SCHEMBL272897 0.78 NR1H4 (0.66) TRPV1LMNAMAPTNPSR1NR1H4
SCHEMBL274686 0.78 NR1H4 (0.66) TRPV1LMNAMAPTNPSR1NR1H4
SCHEMBL273816 0.77 NR1H4 (0.62) TRPV1LMNAMAPTNR1H4MEN1
SCHEMBL274288 0.77 TRPV1 (0.45) TRPV1LMNANR1H4POLB

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
EP-1532153-B1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X CEPTOR THERAPEUTICS INC (US) 2012-02-29 EP disclosed