SCHEMBL7470308

SCHEMBL7470308

O=C(CCC(=O)NCC(CCCN1CCC(c2ccccc2)CC1)(c1ccccc1)c1ccccc1)NCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.70
CCR3 P51677 2/20 0.52
HTR7 P34969 5/20 0.48
SIGMAR1 Q99720 4/20 0.47
CCR1 P32246 1/20 0.47
HTR1A P08908 1/20 0.47
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
CCR2 P41597 3/20 0.45
KCNA3 P22001 1/20 0.45

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
SCHEMBL7469523 0.90 MCHR1 (0.67) MCHR1CCR3SIGMAR1CCR1MEN1
SCHEMBL7460761 0.90 MCHR1 (0.75) MCHR1CCR3HTR7SIGMAR1CCR1
SCHEMBL7467273 0.89 MCHR1 (0.68) MCHR1CCR3HTR7SIGMAR1CCR1
SCHEMBL7459157 0.88 MCHR1 (0.67) MCHR1CCR3HTR7SIGMAR1CCR1
SCHEMBL7465663 0.88 MCHR1 (0.75) MCHR1CCR3HTR7SIGMAR1CCR1
SCHEMBL7467049 0.87 MCHR1 (0.73) MCHR1CCR3HTR7SIGMAR1CCR1
SCHEMBL7462499 0.86 MCHR1 (0.67) MCHR1CCR3HTR7SIGMAR1CCR1
SCHEMBL7461152 0.85 MCHR1 (0.64) MCHR1HTR7SIGMAR1KMT2ACCR2
SCHEMBL7465506 0.85 MCHR1 (0.84) MCHR1CCR3HTR7SIGMAR1CCR1
SCHEMBL7462251 0.84 MCHR1 (0.82) MCHR1CCR3HTR7SIGMAR1CCR1

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