SCHEMBL30178232

SCHEMBL30178232

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCc1c[nH]c2ccc(O)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 1.00
FAAH O00519 1/20 1.00
PTGS2 P35354 1/20 1.00
SPR P35270 2/20 0.59
MTNR1A P48039 2/20 0.59
ALDH1A1 P00352 2/20 0.58
MAPT P10636 2/20 0.58
HPGD P15428 2/20 0.58
KDM4E B2RXH2 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
IDO1 P14902 1/20 0.58
BLM P54132 1/20 0.58
NOTUM Q6P988 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
MEN1 O00255 1/20 0.57
ALOX12 P18054 1/20 0.57
KMT2A Q03164 1/20 0.57
TRPM8 Q7Z2W7 1/20 0.57

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
SCHEMBL157036 1.00 TRPV1 (1.00) TRPV1FAAHPTGS2SPRMTNR1A
SCHEMBL3810578 1.00 TRPV1 (1.00) TRPV1FAAHPTGS2SPRMTNR1A
SCHEMBL1129527 1.00 TRPV1 (1.00) TRPV1FAAHPTGS2SPRMTNR1A
SCHEMBL14507405 0.94 TRPV1 (0.90) TRPV1FAAHPTGS2SPRMTNR1A
SCHEMBL23630280 0.89 TRPV1 (1.00) TRPV1FAAHPTGS2SPRMTNR1A
SCHEMBL23630266 0.89 TRPV1 (1.00) TRPV1FAAHPTGS2SPRMTNR1A
SCHEMBL23630268 0.89 TRPV1 (1.00) TRPV1FAAHPTGS2SPRMTNR1A
SCHEMBL23630267 0.89 TRPV1 (1.00) TRPV1FAAHPTGS2SPRMTNR1A
SCHEMBL1746356 0.89 TRPV1 (1.00) TRPV1FAAHPTGS2SPRMTNR1A
SCHEMBL3815737 0.89 TRPV1 (1.00) TRPV1FAAHPTGS2SPRMTNR1A

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
CN-114605385-B Indole piperidine urea TRPV1 antagonism/FAAH inhibition double-target drug, preparation method and application 河南大学 2023-09-08 CN disclosed
WO-2022230851-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR AMYOTROPHIC LATERAL SCLEROSIS 国立大学法人東海国立大学機構 2022-11-03 WO disclosed