SCHEMBL2765663

SCHEMBL2765663

C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccccc3-c3ccc(F)cc3)cc2)CCN1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MLNR O43193 18/20 0.52
CYP3A4 P08684 4/20 0.46
CCR1 P32246 1/20 0.45
MGLL Q99685 1/20 0.44

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
SCHEMBL3560197 0.88 MLNR (0.48) MLNRCYP3A4CCR1
SCHEMBL2767737 0.86 MLNR (0.69) MLNRCCR1MGLL
SCHEMBL2768337 0.86 MLNR (0.57) MLNRCCR1MGLL
SCHEMBL2767766 0.84 MLNR (0.72) MLNRCCR1MGLL
SCHEMBL2767872 0.84 MLNR (0.72) MLNRCCR1MGLL
SCHEMBL2766215 0.84 MLNR (0.75) MLNR
SCHEMBL2766758 0.83 MLNR (0.58) MLNRCCR1MGLL
SCHEMBL2767685 0.82 MLNR (0.72) MLNRCCR1
SCHEMBL2765987 0.82 MLNR (0.73) MLNRCCR1
SCHEMBL2767564 0.82 MLNR (0.73) MLNRCCR1

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-2041093-B1 PIPERAZINYL DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LTD (GB) 2010-04-21 EP disclosed