SCHEMBL2210609

SCHEMBL2210609

CC1CCN(C(=O)c2ccc3cccc(OC4CCN(C(C)C)C4)c3n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.58
MCHR1 Q99705 7/20 0.47
HSD11B1 P28845 1/20 0.41
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
RBP4 P02753 1/20 0.40

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
SCHEMBL2211215 0.94 HRH3 (0.57) HRH3MCHR1HSD11B1PIM1PIM2
SCHEMBL2206388 0.92 HRH3 (0.58) HRH3MCHR1PIM1PIM2RBP4
SCHEMBL2213063 0.90 HRH3 (0.48) HRH3MCHR1NPC1RAB9A
SCHEMBL2212774 0.89 HRH3 (0.47) HRH3MCHR1PIM1PIM2
SCHEMBL2208759 0.89 MCHR1 (0.47) HRH3MCHR1PIM1PIM2
SCHEMBL2212421 0.89 HRH3 (0.47) HRH3MCHR1
SCHEMBL2210901 0.86 HRH3 (0.55) HRH3MCHR1PIM1PIM2RBP4
SCHEMBL2211153 0.86 HRH3 (0.65) HRH3MCHR1PIM1PIM2RBP4
SCHEMBL2208886 0.86 HRH3 (0.61) HRH3MCHR1PIM1PIM2RBP4
SCHEMBL2208189 0.86 HRH3 (0.64) HRH3MCHR1PIM1PIM2RBP4

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-1805166-B1 QUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-07-27 EP claimed