SCHEMBL2768337

SCHEMBL2768337

C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccccc3Oc3ccc(F)cc3)cc2)CCN1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MLNR O43193 12/20 0.57
CCR1 P32246 5/20 0.50
MGLL Q99685 1/20 0.47
FPR3 P25089 1/20 0.45
GPR65 Q8IYL9 1/20 0.45
GPR35 Q9HC97 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.42

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
SCHEMBL13404709 0.89 MLNR (0.54) MLNRCCR1MGLLFPR3GPR65
SCHEMBL2766234 0.88 MLNR (0.74) MLNRCCR1MGLL
SCHEMBL2765627 0.88 MLNR (0.61) MLNRCCR1MGLL
SCHEMBL2765663 0.86 MLNR (0.52) MLNRCCR1MGLL
SCHEMBL2767326 0.85 MLNR (0.62) MLNRCCR1MGLL
SCHEMBL2766923 0.84 MLNR (0.77) MLNR
SCHEMBL2767206 0.84 MLNR (0.61) MLNRCCR1MGLL
SCHEMBL3567849 0.83 MLNR (0.49) MLNRCCR1MGLL
SCHEMBL2767002 0.82 MLNR (0.61) MLNRCCR1
SCHEMBL2765421 0.81 MLNR (0.73) MLNRCCR1MGLL

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