SCHEMBL38603

SCHEMBL38603

Cc1cc(C(=O)N2CCCCc3sccc32)ccc1CNC(=O)N1CC(C)C(=S)[C@H]1C(=O)N1CCCNCC1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 19/20 0.58
OXTR P30559 10/20 0.58
AVPR1A P37288 1/20 0.44

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
SCHEMBL8368994 0.83 AVPR2 (0.61) AVPR2OXTRAVPR1A
Hydrochloric Acid SCHEMBL4828748 0.83 AVPR2 (0.61) AVPR2OXTRAVPR1A
SCHEMBL1662737 0.80 AVPR2 (0.73) AVPR2OXTRAVPR1A
SCHEMBL38725 0.78 AVPR1A (0.47) AVPR2OXTRAVPR1A
Trifluoroacetic Acid SCHEMBL6202229 0.76 AVPR2 (0.67) AVPR2OXTRAVPR1A
SCHEMBL38963 0.76 AVPR2 (0.47) AVPR2OXTRAVPR1A
SCHEMBL5435288 0.76 AVPR2 (0.88) AVPR2OXTRAVPR1A
SCHEMBL4835899 0.71 AVPR2 (0.60) AVPR2OXTR
SCHEMBL6202773 0.70 AVPR1A (0.55) AVPR2OXTRAVPR1A
SCHEMBL4835299 0.69 AVPR1A (0.54) AVPR2OXTRAVPR1A

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
EP-2575853-A1 METHODS AND PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF A FEEDING DISORDER WITH EARLY-ONSET IN A PATIENT INSERM - Institut National de la Santé et de la Recherche Médicale (FR) 2013-04-10 EP disclosed
WO-2011147889-A1 METHODS AND PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF A FEEDING DISORDER WITH EARLY-ONSET IN A PATIENT INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2011-12-01 WO disclosed