SCHEMBL4229808

SCHEMBL4229808

O=C(N1CC[C@@]2(C1)OCc1ccccc12)C1(Sc2ccc(-c3ccc(F)cc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 7/20 0.41
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
HSD11B1 P28845 1/20 0.39
AVPR2 P30518 1/20 0.39
OXTR P30559 1/20 0.38
NPY5R Q15761 1/20 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
SCHEMBL3679453 1.00 AVPR1A (0.41) AVPR1ATMEM97SIGMAR1HRH3HSD11B1
SCHEMBL3682438 0.87 AVPR1A (0.48) AVPR1AHRH3HSD11B1AVPR2OXTR
SCHEMBL3682178 0.82 HSD11B1 (0.59) HSD11B1NPY5R
SCHEMBL3686552 0.79 HSD11B1 (0.58) HSD11B1NPY5R
SCHEMBL4758939 0.75 CTSB (0.41) AVPR1AHRH3AVPR2
SCHEMBL4758938 0.75 CTSB (0.41) AVPR1AHRH3AVPR2
SCHEMBL3971621 0.74 HSD11B1 (0.69) HSD11B1
SCHEMBL3231283 0.73 AVPR1A (0.54) AVPR1AHRH3AVPR2OXTR
SCHEMBL15963063 0.73 AVPR1A (0.57) AVPR1AHRH3AVPR2OXTR
SCHEMBL5531225 0.72 AVPR1A (0.53) AVPR1ASIGMAR1HRH3AVPR2OXTR

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-1773773-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-07-29 EP claimed
EP-1773773-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-18 EP claimed
WO-2006002350-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-01-05 WO claimed