SCHEMBL38725

SCHEMBL38725

Cc1cc(C(=O)N2Cc3cn[nH]c3N(C)c3ccccc32)ccc1CNC(=O)N1CC(C)C(=S)[C@H]1C(=O)N1CCCNCC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 9/20 0.47
AVPR2 P30518 14/20 0.45
OXTR P30559 8/20 0.45
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM3 P20309 1/20 0.45
DRD3 P35462 1/20 0.45
OPRK1 P41145 1/20 0.45

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
Iodide SCHEMBL39021 0.89 AVPR1A (0.47) AVPR1AAVPR2OXTRCHRM2CHRM4
SCHEMBL38603 0.78 AVPR2 (0.58) AVPR1AAVPR2OXTR
Iodide SCHEMBL1660507 0.74 AVPR2 (0.42) AVPR1AAVPR2OXTRCHRM2CHRM4
SCHEMBL45767 0.74 AVPR1A (0.58) AVPR1AAVPR2OXTRCHRM2CHRM4
SCHEMBL44381 0.74 AVPR1A (0.53) AVPR1AAVPR2OXTRCHRM2CHRM4
SCHEMBL6425099 0.67 AVPR1A (0.88) AVPR1AAVPR2OXTRCHRM2CHRM4
SCHEMBL1660631 0.67 OXTR (0.76) AVPR1AAVPR2OXTRCHRM2CHRM4
Hydrochloric Acid SCHEMBL4829058 0.67 AVPR1A (0.87) AVPR1AAVPR2OXTRCHRM2CHRM4
SCHEMBL6204681 0.65 AVPR1A (0.69) AVPR1AAVPR2OXTRCHRM2CHRM4
Iodide SCHEMBL6202511 0.65 AVPR1A (0.68) AVPR1AAVPR2OXTRCHRM2CHRM4

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