SCHEMBL2397558

SCHEMBL2397558

CN(C(=O)N1CCC(Oc2cccc(F)c2)CC1)c1ccc(CN2CCN(C(=O)O)[C@@](C)(C(C)(C)C)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MLNR O43193 6/20 0.46
GAA P10253 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
OPRK1 P41145 1/20 0.38
FAAH O00519 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ACHE P22303 1/20 0.36
PRKAA2 P54646 1/20 0.36
KCNH2 Q12809 1/20 0.36
AGTR2 P50052 1/20 0.35

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
SCHEMBL377588 0.87 CHRM4 (0.45) MLNRFAAHMEN1KMT2AACHE
SCHEMBL377748 0.85 MLNR (0.49) MLNRFAAHKMT2AKCNH2
SCHEMBL377770 0.82 CHRM4 (0.42) MLNRFAAHACHEAGTR2
SCHEMBL3570120 0.82 MLNR (0.53) MLNRGAAMEN1KMT2A
SCHEMBL3559461 0.81 MLNR (0.60) MLNRPRKAA2
SCHEMBL378303 0.81 MLNR (0.55) MLNRGAAHRH3OPRK1FAAH
SCHEMBL2766677 0.79 MLNR (0.48) MLNRKMT2A
SCHEMBL2397555 0.78 MLNR (0.52) MLNRGAAHRH3
SCHEMBL377489 0.78 MLNR (0.41) MLNRFAAH
SCHEMBL377408 0.77 MLNR (0.76) MLNRKCNH2

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
US-8012981-B2 Benzylpiperazine derivatives as motilin receptor agonists GLAXO GROUP LIMITED (GB) 2011-09-06 US disclosed