SCHEMBL9865707

SCHEMBL9865707

CC(CN(C)C)Oc1ccc2c(c1)-c1nn(-c3ccc(Cl)c(Cl)c3)c(=O)cc1CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.38
AR P10275 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
ALDH1A1 P00352 5/20 0.34
MAPT P10636 4/20 0.34
HTT P42858 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TOP1 P11387 1/20 0.34
KCNH2 Q12809 2/20 0.33
RPA1 P27694 1/20 0.33
LMNA P02545 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MGLL Q99685 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32

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
SCHEMBL9867236 0.91 MCHR1 (0.44) MCHR1HRH3ALDH1A1MAPTHTT
SCHEMBL9867683 0.88 ALDH1A1 (0.41) MCHR1HRH3ALDH1A1MAPTHTT
SCHEMBL9865646 0.88 MCHR1 (0.40) MCHR1HRH3ALDH1A1MAPTTOP1
SCHEMBL9602846 0.87 MCHR1 (0.41) MCHR1HRH3ALDH1A1MAPTHTT
SCHEMBL9867705 0.87 MCHR1 (0.41) MCHR1HRH3ALDH1A1MAPTTOP1
SCHEMBL9866266 0.86 MCHR1 (0.42) MCHR1HRH3ALDH1A1MAPTHTT
SCHEMBL9865428 0.86 MCHR1 (0.38) MCHR1HRH3ALDH1A1MAPTTOP1
SCHEMBL9866270 0.84 MCHR1 (0.42) MCHR1HRH3ALDH1A1MAPTTOP1
SCHEMBL9866420 0.83 MCHR1 (0.43) MCHR1HRH3ALDH1A1MAPTTOP1
SCHEMBL9603115 0.82 MCHR1 (0.48) MCHR1HRH3ALDH1A1MAPTHTT

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
US-5045541-A Immunodeficiency disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-09-03 US disclosed
EP-0351435-A1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-24 EP disclosed