SCHEMBL7466658

SCHEMBL7466658

CC(C)(C)OC(=O)NCC(=O)NCC(CCCN1CCC(c2ccccc2)CC1)(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.68
CCR2 P41597 8/20 0.49
DRD2 P14416 1/20 0.47
SIGMAR1 Q99720 3/20 0.46
KCNA3 P22001 1/20 0.43
CACNA1G O43497 2/20 0.42
TACR1 P25103 1/20 0.41
CCR5 P51681 1/20 0.41
PRCP P42785 1/20 0.41
CCR1 P32246 1/20 0.40
CCR3 P51677 1/20 0.40

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
SCHEMBL7460707 0.94 MCHR1 (0.76) MCHR1CCR2DRD2SIGMAR1KCNA3
SCHEMBL7463951 0.92 MCHR1 (0.68) MCHR1DRD2SIGMAR1PRCPCCR1
SCHEMBL7464970 0.90 MCHR1 (0.55) MCHR1CCR2DRD2SIGMAR1KCNA3
SCHEMBL7461814 0.89 MCHR1 (0.54) MCHR1DRD2SIGMAR1KCNA3CACNA1G
SCHEMBL7463853 0.87 MCHR1 (0.61) MCHR1DRD2SIGMAR1KCNA3CACNA1G
SCHEMBL7461074 0.84 MCHR1 (0.54) MCHR1DRD2SIGMAR1CCR1CCR3
Hydrochloric Acid SCHEMBL7461498 0.84 MCHR1 (0.87) MCHR1CCR2DRD2CACNA1GTACR1
SCHEMBL7464781 0.81 MCHR1 (0.73) MCHR1CCR2DRD2SIGMAR1KCNA3
SCHEMBL7463098 0.81 MCHR1 (1.00) MCHR1SIGMAR1KCNA3CCR1CCR3
Hydrochloric Acid SCHEMBL7463694 0.80 MCHR1 (0.98) MCHR1SIGMAR1CCR1CCR3

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