SCHEMBL4745995

SCHEMBL4745995

CCCOC1CCCC(N2CCC(N)CC2)C1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.33
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
NPC1 O15118 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL4745991 1.00 DPP4 (0.33) DPP4GNAI3GNAO1GNAI1NPC1
SCHEMBL4745992 1.00 DPP4 (0.33) DPP4GNAI3GNAO1GNAI1NPC1
SCHEMBL24834975 0.87 NPC1 (0.34) NPC1TAAR1
SCHEMBL602982 0.81 GNAI3 (0.35) DPP4GNAI3GNAO1GNAI1NPC1
SCHEMBL602981 0.81 GNAI3 (0.35) DPP4GNAI3GNAO1GNAI1NPC1
Hydrochloric Acid SCHEMBL601271 0.80 GNAI3 (0.38) DPP4GNAI3GNAO1GNAI1NPC1
Hydrochloric Acid SCHEMBL601270 0.80 GNAI3 (0.38) DPP4GNAI3GNAO1GNAI1NPC1
SCHEMBL4745773 0.79 TAAR1 (0.34) TAAR1
SCHEMBL4745776 0.79 TAAR1 (0.34) TAAR1
SCHEMBL4745772 0.79 TAAR1 (0.34) TAAR1

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
WO-2008119715-A1 1- (1-CYCLOHEXYL-4-PIPERIDINYL) -1, 3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES WHICH HAVE ACTIVITY ON THE M1 RECEPTOR AND THEIR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed