SCHEMBL7463755

SCHEMBL7463755

O=C(NCC(CCCN1CCC(c2ccccc2)CC1)(c1ccccc1)c1ccccc1)c1ccc(Br)s1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.57
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CCR1 P32246 3/20 0.43
CCR3 P51677 3/20 0.43
USP5 P45974 1/20 0.43
HTR7 P34969 5/20 0.42
DRD3 P35462 2/20 0.41
DRD2 P14416 2/20 0.41
DRD4 P21917 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
ACKR3 P25106 1/20 0.41
KCNA3 P22001 1/20 0.41

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
SCHEMBL7462127 0.88 MCHR1 (0.56) MCHR1MEN1KMT2ACCR1CCR3
SCHEMBL7465497 0.87 MCHR1 (0.59) MCHR1KMT2ACCR1CCR3HTR7
SCHEMBL7460992 0.84 MCHR1 (0.60) MCHR1CCR1CCR3USP5HTR7
SCHEMBL7462324 0.81 MCHR1 (0.57) MCHR1KMT2AUSP5HTR7DRD3
SCHEMBL7463353 0.81 MCHR1 (0.59) MCHR1MEN1KMT2AL3MBTL1CCR1
SCHEMBL7461314 0.81 MCHR1 (0.61) MCHR1CCR1CCR3HTR7DRD3
SCHEMBL7469453 0.79 MCHR1 (0.59) MCHR1CCR1CCR3HTR7ADRA1D
SCHEMBL7464540 0.79 MCHR1 (0.59) MCHR1CCR1CCR3HTR7DRD2
SCHEMBL7461973 0.79 MCHR1 (0.58) MCHR1CCR1CCR3DRD2
SCHEMBL7470937 0.79 MCHR1 (0.58) MCHR1USP5HTR7DRD2DRD4

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