SCHEMBL2035962

SCHEMBL2035962

O=C(O)N1CCCC1c1nc(-c2ccc(Br)cc2)cs1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.59
CPT1A P50416 10/20 0.54
CPT1B Q92523 3/20 0.53
HSD11B1 P28845 2/20 0.53
CPT2 P23786 7/20 0.52
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL2636237 0.88 HSD11B1 (0.66) TRPV1CPT1ACPT1BHSD11B1CPT2
SCHEMBL1953343 0.85 HSD11B1 (0.55) TRPV1CPT1ACPT1BHSD11B1CPT2
SCHEMBL1953345 0.85 HSD11B1 (0.55) TRPV1CPT1ACPT1BHSD11B1CPT2
SCHEMBL15453437 0.83 CPT1A (0.57) TRPV1CPT1ACPT1BHSD11B1CPT2
SCHEMBL15453506 0.82 TRPV1 (0.60) TRPV1CPT1ACPT1BHSD11B1CPT2
SCHEMBL30212098 0.80 TRPV1 (0.66) TRPV1CPT1ACPT1BHSD11B1CPT2
SCHEMBL15453868 0.79 CPT1A (0.46) TRPV1CPT1ACPT1BCPT2MEN1
SCHEMBL28849366 0.78 TRPV1 (0.45) TRPV1CPT1ACPT1BCPT2MEN1
SCHEMBL2728854 0.77 TRPV1 (0.46) TRPV1CPT1ACPT1BHSD11B1CPT2
SCHEMBL17201777 0.77 SMN1; SMN2 (0.46) TRPV1CPT1ACPT1BCPT2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3039022-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC AND BODY WEIGHT RELATED DISORDERS Baylor College Of Medicine (US) 2016-07-06 EP claimed
WO-2015031710-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC AND BODY WEIGHT RELATED DISORDERS BAYLOR COLLEGE OF MEDICINE (US) 2015-03-05 WO claimed
EP-3039022-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC AND BODY WEIGHT RELATED DISORDERS Baylor College Of Medicine (US) 2016-07-06 EP disclosed
WO-2015031710-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC AND BODY WEIGHT RELATED DISORDERS BAYLOR COLLEGE OF MEDICINE (US) 2015-03-05 WO disclosed
EP-2507232-A2 PROLINE DERIVATIVES National Health Research Institutes (TW) 2012-10-10 EP disclosed
WO-2011068941-A2 PROLINE DERIVATIVES NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2011-06-09 WO disclosed