SCHEMBL9867705

SCHEMBL9867705

CC(CN(C)C)Oc1ccc2c(c1)-c1nn(-c3ccc(O)cc3)c(=O)cc1CC2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.41
HRH3 Q9Y5N1 2/20 0.37
CHEK1 O14757 2/20 0.37
ALDH1A1 P00352 5/20 0.36
TOP1 P11387 1/20 0.35
MAPT P10636 3/20 0.33
GAA P10253 2/20 0.33
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
LCK P06239 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9866420 0.94 MCHR1 (0.43) MCHR1HRH3CHEK1ALDH1A1TOP1
SCHEMBL9867236 0.94 MCHR1 (0.44) MCHR1HRH3ALDH1A1TOP1MAPT
SCHEMBL9865646 0.91 MCHR1 (0.40) MCHR1HRH3ALDH1A1TOP1MAPT
SCHEMBL9867683 0.91 ALDH1A1 (0.41) MCHR1HRH3ALDH1A1TOP1MAPT
SCHEMBL9865428 0.90 MCHR1 (0.38) MCHR1HRH3ALDH1A1TOP1MAPT
SCHEMBL9866266 0.90 MCHR1 (0.42) MCHR1HRH3ALDH1A1TOP1MAPT
SCHEMBL9866270 0.88 MCHR1 (0.42) MCHR1HRH3ALDH1A1TOP1MAPT
SCHEMBL9865707 0.87 MCHR1 (0.38) MCHR1HRH3ALDH1A1TOP1MAPT
SCHEMBL9602846 0.87 MCHR1 (0.41) MCHR1HRH3CHEK1ALDH1A1TOP1
SCHEMBL9603115 0.85 MCHR1 (0.48) MCHR1HRH3ALDH1A1TOP1MAPT

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