SCHEMBL7459157

SCHEMBL7459157

O=C(CCNC(=O)Cc1ccccc1)NCC(CCCN1CCC(c2ccccc2)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.67
ALDH1A1 P00352 1/20 0.51
GLS O94925 1/20 0.51
CCR3 P51677 3/20 0.45
CCR1 P32246 2/20 0.45
SIGMAR1 Q99720 3/20 0.45
DRD2 P14416 1/20 0.45
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR7 P34969 4/20 0.44
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
KCNA3 P22001 1/20 0.43

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
SCHEMBL7466510 0.89 MCHR1 (0.61) MCHR1ALDH1A1GLSSIGMAR1DRD2
SCHEMBL7459261 0.89 MCHR1 (0.66) MCHR1ALDH1A1GLSCCR3CCR1
Hydrochloric Acid SCHEMBL7465051 0.89 MCHR1 (0.61) MCHR1ALDH1A1GLSSIGMAR1DRD2
SCHEMBL7470308 0.88 MCHR1 (0.70) MCHR1CCR3CCR1SIGMAR1MEN1
SCHEMBL7465506 0.88 MCHR1 (0.84) MCHR1CCR3CCR1SIGMAR1MEN1
SCHEMBL7467273 0.86 MCHR1 (0.68) MCHR1GLSCCR3CCR1SIGMAR1
SCHEMBL7465663 0.85 MCHR1 (0.75) MCHR1CCR3CCR1SIGMAR1MEN1
SCHEMBL7467049 0.84 MCHR1 (0.73) MCHR1GLSCCR3CCR1SIGMAR1
SCHEMBL7460592 0.83 MCHR1 (0.62) MCHR1ALDH1A1CCR3CCR1SIGMAR1
SCHEMBL7462251 0.83 MCHR1 (0.82) MCHR1GLSCCR3CCR1SIGMAR1

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