SCHEMBL6764200

SCHEMBL6764200

COCC1=C(C(=O)O)[C@H](c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(c3cccc(N)c3)CC2)C(=O)N1C

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 18/20 0.60
ADRA1D P25100 16/20 0.60
ADRA1B P35368 16/20 0.60
MCHR1 Q99705 3/20 0.58
DRD2 P14416 1/20 0.58
HRH1 P35367 1/20 0.48

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
SCHEMBL5658591 0.90 ADRA1A (0.72) ADRA1AADRA1DADRA1BMCHR1DRD2
SCHEMBL5661401 0.88 ADRA1A (0.73) ADRA1AADRA1DADRA1BMCHR1DRD2
SCHEMBL7096127 0.88 ADRA1A (0.73) ADRA1AADRA1DADRA1BMCHR1DRD2
SCHEMBL6764196 0.83 ADRA1A (0.81) ADRA1AADRA1DADRA1BMCHR1DRD2
SCHEMBL3986844 0.78 ADRA1A (0.90) ADRA1AADRA1DADRA1BMCHR1DRD2
SCHEMBL6712292 0.77 ADRA1A (0.79) ADRA1AADRA1DADRA1BMCHR1DRD2
SCHEMBL7093785 0.77 ADRA1A (0.79) ADRA1AADRA1DADRA1BMCHR1DRD2
SCHEMBL6710975 0.77 ADRA1A (0.79) ADRA1AADRA1DADRA1BMCHR1DRD2
SCHEMBL7091765 0.77 ADRA1A (0.79) ADRA1AADRA1DADRA1BMCHR1DRD2
SCHEMBL5660443 0.76 ADRA1A (0.54) ADRA1AADRA1DADRA1BMCHR1DRD2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6727264-B1 MELANIN CONCENTRATING HORMONE-1 RECEPTOR ANTAGONISTS; SLEEP, EATING, SEXUAL DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-27 US disclosed