SCHEMBL7466759

SCHEMBL7466759

O=C(NCC(CCCN1CCC(c2ccccc2)CC1)(c1ccccc1)c1ccccc1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.66
CHRM4 P08173 6/20 0.49
SLC6A5 Q9Y345 6/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
LTA4H P09960 1/20 0.47
S1PR1 P21453 1/20 0.46

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
SCHEMBL7457737 0.91 MCHR1 (0.63) MCHR1ALDH1A1
Hydrochloric Acid SCHEMBL7466687 0.88 MCHR1 (0.59) MCHR1CHRM4
SCHEMBL7461314 0.86 MCHR1 (0.61) MCHR1
SCHEMBL7460992 0.85 MCHR1 (0.60) MCHR1
SCHEMBL7464540 0.84 MCHR1 (0.59) MCHR1
SCHEMBL7461973 0.84 MCHR1 (0.58) MCHR1
SCHEMBL7464781 0.82 MCHR1 (0.73) MCHR1
SCHEMBL7467049 0.80 MCHR1 (0.73) MCHR1S1PR1
SCHEMBL7470119 0.80 MCHR1 (0.68) MCHR1
SCHEMBL7470937 0.80 MCHR1 (0.58) MCHR1

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
EP-1219294-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed