SCHEMBL9838243

SCHEMBL9838243

CCNC1CCCCc2ccccc2N1C(=O)c1ccc(NC(=O)c2ccccc2C)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.64
AVPR1A P37288 7/20 0.64
OXTR P30559 2/20 0.64
ABCB11 O95342 1/20 0.51
HTR1A P08908 1/20 0.51
CHRM1 P11229 1/20 0.51
SLC6A4 P31645 1/20 0.51
ADRA1A P35348 1/20 0.51
OPRM1 P35372 1/20 0.51
AVPR1B P47901 1/20 0.51

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
SCHEMBL8713003 0.84 AVPR2 (0.58) AVPR2AVPR1AOXTR
SCHEMBL8719656 0.83 AVPR2 (0.66) AVPR2AVPR1AOXTR
SCHEMBL8715632 0.79 AVPR2 (0.52) AVPR2AVPR1AOXTR
SCHEMBL8719606 0.79 AVPR2 (0.51) AVPR2AVPR1AOXTR
SCHEMBL7351118 0.78 AVPR1A (1.00) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7343665 0.77 AVPR1A (0.98) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7351096 0.77 AVPR2 (0.58) AVPR2AVPR1AOXTRABCB11HTR1A
SCHEMBL7351740 0.77 AVPR2 (0.94) AVPR2AVPR1AOXTR
SCHEMBL8558906 0.77 AVPR2 (0.71) AVPR2AVPR1AOXTR
SCHEMBL8712392 0.74 AVPR2 (0.70) AVPR2AVPR1AOXTR

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
EP-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 EP disclosed