SCHEMBL45767

SCHEMBL45767

Cc1cc(C(=O)N2Cc3cn[nH]c3N(C)c3ccccc32)ccc1CNC(=O)N1CCN(Cc2cccc(CO)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 12/20 0.58
OXTR P30559 11/20 0.58
AVPR2 P30518 10/20 0.58
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM3 P20309 1/20 0.42
DRD3 P35462 1/20 0.42
OPRK1 P41145 1/20 0.42
PDCD1 Q15116 2/20 0.38
CD274 Q9NZQ7 2/20 0.38

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
SCHEMBL44381 0.84 AVPR1A (0.53) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL4835384 0.83 AVPR1A (0.83) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL4837407 0.76 AVPR1A (0.90) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL38380 0.76 AVPR1A (0.88) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL4697681 0.74 AVPR1A (0.79) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL38725 0.74 AVPR1A (0.47) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL4696235 0.73 AVPR1A (0.77) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2598091 0.73 AVPR1A (1.00) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL4835403 0.73 AVPR1A (0.85) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL31737367 0.73 AVPR1A (1.00) AVPR1AOXTRAVPR2CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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