SCHEMBL9602271

SCHEMBL9602271

CC(CN(C)C)Oc1ccc(-n2nc3c(cc2=O)CSc2c(Cl)cccc2-3)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.39
TOP1 P11387 1/20 0.34
MAPT P10636 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
OPRK1 P41145 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL9602979 0.86 MCHR1 (0.43) MCHR1TOP1MAPTALDH1A1HTT
SCHEMBL9866572 0.82 MMP12 (0.40) MCHR1TOP1MAPTALDH1A1HTT
SCHEMBL9865465 0.81 MCHR1 (0.38) MCHR1TOP1MAPTHTTHRH3
SCHEMBL9601577 0.80 MCHR1 (0.37) MCHR1TOP1HRH3
SCHEMBL9603115 0.80 MCHR1 (0.48) MCHR1TOP1MAPTALDH1A1HTT
SCHEMBL9866342 0.79 MCHR1 (0.36) MCHR1TOP1MAPTALDH1A1HTT
SCHEMBL9867408 0.79 ALDH1A1 (0.37) MCHR1TOP1MAPTALDH1A1HTT
SCHEMBL9602846 0.78 MCHR1 (0.41) MCHR1TOP1MAPTALDH1A1HTT
SCHEMBL9867236 0.77 MCHR1 (0.44) MCHR1TOP1MAPTALDH1A1HTT
SCHEMBL9865298 0.77 MCHR1 (0.43) MCHR1TOP1MAPTALDH1A1NPC1

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 3 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
EP-0351435-A1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-24 EP disclosed