SCHEMBL9865814

SCHEMBL9865814

CC(CN(C)C)Oc1ccc(-n2nc3c(cc2=O)C[S+]([O-])c2ccc(F)cc2-3)cc1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.36
TOP1 P11387 1/20 0.30
DHODH Q02127 2/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL9865029 0.89 MCHR1 (0.42) MCHR1TOP1HRH3
SCHEMBL9866296 0.81 MCHR1 (0.37) MCHR1TOP1
SCHEMBL9601577 0.81 MCHR1 (0.37) MCHR1TOP1DHODHHRH3
Fumaric Acid SCHEMBL9603089 0.78 MCHR1 (0.39) MCHR1TOP1DHODHHRH3
Fumaric Acid SCHEMBL9603083 0.78 MCHR1 (0.39) MCHR1TOP1DHODHHRH3
SCHEMBL9867236 0.76 MCHR1 (0.44) MCHR1TOP1HRH3
Iodide SCHEMBL9866676 0.76 HRH3 (0.34) HRH3
SCHEMBL9603115 0.76 MCHR1 (0.48) MCHR1TOP1HRH3
SCHEMBL9866095 0.75 MCHR1 (0.43) MCHR1TOP1DHODHHRH3
SCHEMBL9866266 0.74 MCHR1 (0.42) MCHR1TOP1HRH3

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