SCHEMBL7334188

SCHEMBL7334188

CC(C)(C)OC(=O)NCCc1c[nH]c2ccc(-c3ccccc3)cc12

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.65
FAAH O00519 4/20 0.65
LTA4H P09960 3/20 0.62
PLA2G2A P14555 3/20 0.62
CDK4 P11802 3/20 0.55
CCND1 P24385 3/20 0.55
IDO1 P14902 1/20 0.55
MTNR1A P48039 2/20 0.54
MTNR1B P49286 2/20 0.54
SNCA P37840 1/20 0.53
TRPM8 Q7Z2W7 1/20 0.52

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
SCHEMBL7315015 0.93 TRPV1 (0.57) TRPV1FAAHLTA4HPLA2G2ACDK4
SCHEMBL7307246 0.91 FAAH (0.56) TRPV1FAAHLTA4HPLA2G2AMTNR1A
SCHEMBL21564239 0.88 IDO1 (0.60) TRPV1FAAHLTA4HPLA2G2ACDK4
SCHEMBL5745010 0.85 MEN1 (0.67) FAAHCDK4CCND1MTNR1A
SCHEMBL8807970 0.84 HTR7 (0.57) TRPV1FAAHIDO1MTNR1AMTNR1B
SCHEMBL8613795 0.84 TRPV1 (0.55) TRPV1FAAHIDO1MTNR1AMTNR1B
SCHEMBL31077788 0.84 TRPV1 (0.70) TRPV1IDO1
SCHEMBL798165 0.84 TRPV1 (0.70) TRPV1IDO1
SCHEMBL6922503 0.84 CYP1A2 (0.70) TRPV1FAAHCDK4CCND1IDO1
SCHEMBL6577939 0.83 FAAH (0.53) TRPV1FAAHLTA4HPLA2G2AIDO1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674620-A1 TRYPTAMINE ANALOGUES AS 5-HT 1?-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-10-04 EP disclosed
CN-1092765-A New tryptamine analogues and preparation method thereof and purposes SMITHKLINE BEECHAM PLC (GB) 1994-09-28 CN disclosed
WO-1994014771-A1 TRYPTAMINE ANALOGUES AS 5-HT1-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-07 WO disclosed