SCHEMBL7459261

SCHEMBL7459261

O=C(Cc1ccc(-c2ccccc2)cc1)NCC(CCCN1CCC(c2ccccc2)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.66
ALDH1A1 P00352 1/20 0.45
CCR3 P51677 3/20 0.44
CCR1 P32246 3/20 0.44
KCNA3 P22001 1/20 0.44
SIGMAR1 Q99720 3/20 0.44
HTR7 P34969 3/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
GLS O94925 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42

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
SCHEMBL7459157 0.89 MCHR1 (0.67) MCHR1ALDH1A1CCR3CCR1KCNA3
SCHEMBL7461314 0.86 MCHR1 (0.61) MCHR1CCR3CCR1SIGMAR1HTR7
SCHEMBL7470119 0.86 MCHR1 (0.68) MCHR1CCR3CCR1KCNA3SIGMAR1
SCHEMBL7466510 0.85 MCHR1 (0.61) MCHR1ALDH1A1KCNA3SIGMAR1MEN1
Hydrochloric Acid SCHEMBL7465051 0.84 MCHR1 (0.61) MCHR1ALDH1A1KCNA3SIGMAR1HTR7
SCHEMBL7470308 0.83 MCHR1 (0.70) MCHR1CCR3CCR1KCNA3SIGMAR1
SCHEMBL7469965 0.82 MCHR1 (0.59) MCHR1ALDH1A1CCR3CCR1SIGMAR1
SCHEMBL7470937 0.82 MCHR1 (0.58) MCHR1SIGMAR1HTR7DRD2
SCHEMBL7467273 0.82 MCHR1 (0.68) MCHR1CCR3CCR1SIGMAR1HTR7
SCHEMBL7464781 0.82 MCHR1 (0.73) MCHR1CCR3CCR1KCNA3SIGMAR1

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