SCHEMBL4428848

SCHEMBL4428848

Cc1ccccc1-c1ccc(C(=O)N2CC(=O)CC2CO)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 8/20 0.69
OXTR P30559 4/20 0.69
AVPR2 P30518 5/20 0.49
SLC6A7 Q99884 1/20 0.45
GHSR Q92847 1/20 0.42
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
FFAR2 O15552 2/20 0.41
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
GRIN2B Q13224 1/20 0.39
PLA2G7 Q13093 2/20 0.37
ABCB1 P08183 1/20 0.36
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36

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
SCHEMBL4428850 1.00 AVPR1A (0.69) AVPR1AOXTRAVPR2SLC6A7GHSR
SCHEMBL21255738 0.87 AVPR1A (0.68) AVPR1AOXTRAVPR2SLC6A7GHSR
SCHEMBL4417850 0.86 OXTR (0.51) AVPR1AOXTRSLC6A7HCRTR1HCRTR2
SCHEMBL301777 0.86 OXTR (0.51) AVPR1AOXTRSLC6A7HCRTR1HCRTR2
Oxyquinoline SCHEMBL25424783 0.85 AVPR1A (0.53) AVPR1AOXTRAVPR2SLC6A7HCRTR1
SCHEMBL16550630 0.85 AVPR1A (0.78) AVPR1AOXTRAVPR2SLC6A7GHSR
SCHEMBL16550628 0.85 AVPR1A (0.78) AVPR1AOXTRAVPR2SLC6A7GHSR
SCHEMBL29642210 0.85 AVPR1A (0.78) AVPR1AOXTRAVPR2SLC6A7GHSR
SCHEMBL29449383 0.85 AVPR1A (0.78) AVPR1AOXTRAVPR2SLC6A7GHSR
SCHEMBL16559069 0.85 AVPR1A (0.78) AVPR1AOXTRAVPR2SLC6A7GHSR

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-1532109-B1 PYRROLIDINE DERIVATIVES AS OXYTOCIN ANTAGONISTS MERCK SERONO SA (CH) 2009-09-09 EP claimed