SCHEMBL7529263

SCHEMBL7529263

COc1ccc(CSC2=NC(C)=C(C(=O)O)C(c3ccc([N+](=O)[O-])cc3)N2C(=O)NCCCN2CCC(c3cccc(NC(C)=O)c3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.46
ADRA1A P35348 7/20 0.46
DRD2 P14416 1/20 0.46
ADRA1D P25100 6/20 0.44
ADRA1B P35368 6/20 0.44
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
NPY1R P25929 1/20 0.42

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
SCHEMBL6715257 0.95 MCHR1 (0.51) MCHR1ADRA1ADRD2ADRA1DADRA1B
SCHEMBL7559427 0.76 ADRA1D (0.47) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7271991 0.76 CACNA1F (0.46)
SCHEMBL9475602 0.75 MAPT (0.49)
SCHEMBL6786820 0.72 ADRA1D (0.46) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7272032 0.72 ALDH1A1 (0.48)
SCHEMBL9476292 0.72 CACNA1F (0.53)
SCHEMBL9475062 0.71 ALDH1A1 (0.49)
SCHEMBL10911256 0.70 CACNA1F (0.56)
SCHEMBL9476068 0.70 CACNA1F (0.54)

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
EP-1246847-A2 DNA ENCODING A HUMAN MELANIN CONCENTRATING HORMONE RECEPTOR (MCH1) AND USES THEREOF Synaptic Pharmaceutical Corporation (US) 2002-10-09 EP disclosed
WO-2002002744-A2 DNA ENCODING A HUMAN MELANIN CONCENTRATING HORMONE RECEPTOR (MCH1) AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2002-01-10 WO disclosed