SCHEMBL5246744

SCHEMBL5246744

COC(=O)[C@H]1C(c2cc3ccccc3o2)N(C)CC[C@@H]1CCCc1cccc2ncc(OC)cc12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 8/20 0.45
MTNR1A P48039 7/20 0.45
SLC6A3 Q01959 1/20 0.39
ACHE P22303 2/20 0.34
BCHE P06276 1/20 0.34
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
DRD3 P35462 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CCR8 P51685 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL3252171 0.79 CCR8 (0.46) MTNR1BMTNR1AHTR1ACCR8
SCHEMBL3252168 0.79 CCR8 (0.46) MTNR1BMTNR1AHTR1ACCR8
SCHEMBL3239669 0.76 CCR8 (0.46) MTNR1BMTNR1AHTR1ACCR8
SCHEMBL3239661 0.76 CCR8 (0.46) MTNR1BMTNR1AHTR1ACCR8
SCHEMBL3246012 0.75 CCR8 (0.44) MTNR1BMTNR1AHTR1ACCR8
SCHEMBL3243038 0.72 MTNR1B (0.51) MTNR1BMTNR1A
SCHEMBL3246023 0.70 MTNR1B (0.55) MTNR1BMTNR1A
SCHEMBL3248037 0.68 MTNR1B (0.50) MTNR1BMTNR1AMAPT
SCHEMBL3249271 0.68 MTNR1B (0.49) MTNR1BMTNR1AMAPT
SCHEMBL3252874 0.68 KCNH2 (0.59) MTNR1BMTNR1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799674-A1 NEW PIPERIDINE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2007-06-27 EP disclosed
WO-2006038172-A1 NEW PIPERIDINE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2006-04-13 WO disclosed