SCHEMBL9865071

SCHEMBL9865071

CC(CN(C)C)Oc1ccc(N2N=C3c4ccccc4[S+]([O-])CC3CC2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.38
TOP1 P11387 1/20 0.35
KMT2A Q03164 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 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
SCHEMBL9866640 0.89 MCHR1 (0.34) MCHR1
SCHEMBL9602580 0.82 MCHR1 (0.39) MCHR1TOP1KMT2APDE4APDE4B
SCHEMBL9865444 0.80 MCHR1 (0.38) MCHR1TOP1KMT2APDE4APDE4B
SCHEMBL10560167 0.78 CES2 (0.36) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL10557783 0.77 GAA (0.35) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL9866843 0.77 PDE4A (0.33) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL10558285 0.77 GABRP (0.42) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL10558290 0.77 GABRP (0.42) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL9602777 0.77 MCHR1 (0.35) MCHR1TOP1
SCHEMBL10562596 0.75 CES2 (0.38) PDE4APDE4BPDE4CPDE4D

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