SCHEMBL9865444

SCHEMBL9865444

CC(CN(C)C)Oc1ccc(N2N=C3c4ccccc4S(=O)(=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
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
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
SCHEMBL9602580 0.82 MCHR1 (0.39) MCHR1TOP1PDE4APDE4BPDE4C
SCHEMBL9865071 0.80 MCHR1 (0.38) MCHR1TOP1PDE4APDE4BPDE4C
SCHEMBL10558921 0.77 GABRP (0.42) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL9602777 0.77 MCHR1 (0.35) MCHR1TOP1
SCHEMBL9865971 0.74 MCHR1 (0.35) MCHR1TOP1
SCHEMBL9602772 0.74 MCHR1 (0.35) MCHR1TOP1
SCHEMBL9603147 0.74 MCHR1 (0.35) MCHR1TOP1KMT2A
SCHEMBL9866052 0.73 MCHR1 (0.34) MCHR1TOP1KMT2A
SCHEMBL9868430 0.73 TOP1 (0.35) MCHR1TOP1KMT2A
SCHEMBL9602906 0.73 MCHR1 (0.35) MCHR1TOP1

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-5021431-A H-1 antagonist, h-2 agonist for treating hypertension, cardiac disease or arterial occlusion HEUMANN PHARMA GMBH & CO. (DE) 1991-06-04 US disclosed
EP-0351435-A1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-24 EP disclosed