SCHEMBL7460992

SCHEMBL7460992

O=C(NCC(CCCN1CCC(c2ccccc2)CC1)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.60
CYP2J2 P51589 1/20 0.48
CCR2 P41597 1/20 0.48
DRD2 P14416 3/20 0.48
DRD3 P35462 2/20 0.48
PRCP P42785 1/20 0.47
SIGMAR1 Q99720 1/20 0.45
USP5 P45974 1/20 0.45
CACNA1G O43497 1/20 0.45
KCNH2 Q12809 1/20 0.45
TSHR P16473 1/20 0.44
HTR7 P34969 3/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
CCR1 P32246 1/20 0.43
CCR3 P51677 1/20 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
SCHEMBL7461314 0.91 MCHR1 (0.61) MCHR1CCR2DRD2DRD3SIGMAR1
SCHEMBL7462324 0.90 MCHR1 (0.57) MCHR1CCR2DRD2DRD3SIGMAR1
SCHEMBL7464540 0.89 MCHR1 (0.59) MCHR1DRD2SIGMAR1HTR7CCR1
SCHEMBL7461973 0.89 MCHR1 (0.58) MCHR1DRD2SIGMAR1CCR1CCR3
Hydrochloric Acid SCHEMBL7466687 0.88 MCHR1 (0.59) MCHR1DRD2SIGMAR1HTR7
SCHEMBL7464781 0.86 MCHR1 (0.73) MCHR1CCR2DRD2SIGMAR1USP5
SCHEMBL7466759 0.85 MCHR1 (0.66) MCHR1
SCHEMBL7470119 0.85 MCHR1 (0.68) MCHR1CCR2DRD2DRD3SIGMAR1
SCHEMBL7470937 0.85 MCHR1 (0.58) MCHR1CCR2DRD2SIGMAR1USP5
SCHEMBL7460592 0.84 MCHR1 (0.62) MCHR1DRD2SIGMAR1HTR7SLC6A2

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