SCHEMBL9602846

SCHEMBL9602846

CC(CN(C)C)Oc1ccc(-n2nc3c(cc2=O)CCc2ccc(Cl)cc2-3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.41
ALDH1A1 P00352 6/20 0.37
LMNA P02545 4/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPT P10636 6/20 0.37
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
KDM4E B2RXH2 2/20 0.36
AOC3 Q16853 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
TOP1 P11387 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.32
OPRK1 P41145 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 0.92 MCHR1 (0.44) MCHR1ALDH1A1LMNAHPGDALOX12
SCHEMBL9866266 0.90 MCHR1 (0.42) MCHR1ALDH1A1LMNAMAPTHTT
SCHEMBL9866270 0.90 MCHR1 (0.42) MCHR1ALDH1A1LMNAMAPTHRH3
SCHEMBL9866420 0.89 MCHR1 (0.43) MCHR1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL9865646 0.88 MCHR1 (0.40) MCHR1ALDH1A1MAPTSMN1; SMN2HRH3
SCHEMBL9867683 0.88 ALDH1A1 (0.41) MCHR1ALDH1A1LMNAMAPTHTT
SCHEMBL9603115 0.87 MCHR1 (0.48) MCHR1ALDH1A1LMNAHPGDALOX12
SCHEMBL9865707 0.87 MCHR1 (0.38) MCHR1ALDH1A1LMNAHPGDALOX12
SCHEMBL9602706 0.87 HRH3 (0.38) ALDH1A1LMNAHPGDALOX12MAPT
SCHEMBL9867705 0.87 MCHR1 (0.41) MCHR1ALDH1A1MAPTSMN1; SMN2HRH3

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-0351435-B1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1993-08-04 EP disclosed
US-5045541-A Immunodeficiency disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-09-03 US disclosed