SCHEMBL7464781

SCHEMBL7464781

O=C(CNC(=O)c1ccccc1)NCC(CCCN1CCC(c2ccccc2)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.73
SIGMAR1 Q99720 1/20 0.47
DRD2 P14416 2/20 0.45
CCR2 P41597 5/20 0.45
KCNA3 P22001 1/20 0.45
USP5 P45974 1/20 0.45
HTR7 P34969 3/20 0.44
CCR3 P51677 3/20 0.44
KCNH2 Q12809 1/20 0.44
CCR1 P32246 3/20 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
SCHEMBL7470119 0.94 MCHR1 (0.68) MCHR1SIGMAR1DRD2CCR2KCNA3
SCHEMBL7459547 0.90 MCHR1 (0.65) MCHR1DRD2CCR2
SCHEMBL7460592 0.90 MCHR1 (0.62) MCHR1SIGMAR1DRD2HTR7CCR3
SCHEMBL7460278 0.87 MCHR1 (0.71) MCHR1SIGMAR1KCNA3HTR7CCR3
SCHEMBL7463521 0.87 MCHR1 (0.66) MCHR1KCNA3HTR7CCR3CCR1
SCHEMBL7461314 0.87 MCHR1 (0.61) MCHR1SIGMAR1DRD2CCR2HTR7
SCHEMBL7461973 0.87 MCHR1 (0.58) MCHR1SIGMAR1DRD2CCR3CCR1
SCHEMBL7464749 0.86 MCHR1 (0.61) MCHR1DRD2CCR2USP5HTR7
SCHEMBL7460992 0.86 MCHR1 (0.60) MCHR1SIGMAR1DRD2CCR2USP5
SCHEMBL7463548 0.86 MCHR1 (0.60) MCHR1SIGMAR1DRD2CCR2USP5

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