SCHEMBL9536218

SCHEMBL9536218

Cc1ccc2oc(CNC(=O)OCc3ccccc3)c3c2c1CCN(C)C3

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ADORA1 P30542 1/20 0.38
CYP1A2 P05177 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PLAU P00749 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
PREP P48147 2/20 0.36
FKBP1A P62942 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL9533699 0.90 ADRA2A (0.47) KEAP1NFE2L2TMEM97SIGMAR1ADORA1
SCHEMBL9535778 0.81 KAT2B (0.39) KEAP1NFE2L2TMEM97SIGMAR1ADORA1
SCHEMBL9534814 0.80 ADRA2A (0.42) L3MBTL1KEAP1NFE2L2NPC1RAB9A
SCHEMBL9534051 0.79 ADRA2A (0.51) L3MBTL1CYP1A2SMN1; SMN2GAA
SCHEMBL9534421 0.72 HTR6 (0.40) LMNAGAA
SCHEMBL9534428 0.72 HTR6 (0.40) LMNAGAA
SCHEMBL9536306 0.71 ADRA2A (0.46) CYP1A2GAA
SCHEMBL9379818 0.67 ADRA2A (0.51) L3MBTL1RAB9AADORA1LMNASMN1; SMN2
Benzyl Benzylcarbamate SCHEMBL1136818 0.65 PLAU (0.70) KEAP1NFE2L2LMNASMN1; SMN2PLAU
SCHEMBL26630611 0.64 TMEM97 (0.50) L3MBTL1NPC1RAB9ATMEM97SIGMAR1

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-0384676-B1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORP (US) 1993-11-10 EP disclosed
US-4981849-A OBESITY, DIABETES, CARDIOVASCULAR DISORDERS, DEPRESSION SMITHKLINE BEECHAM CORPORATION (US) 1991-01-01 US disclosed
EP-0384676-A1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-08-29 EP disclosed