SCHEMBL7461973

SCHEMBL7461973

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.58
CCR3 P51677 4/20 0.47
CCR1 P32246 3/20 0.47
SIGMAR1 Q99720 1/20 0.46
DRD2 P14416 2/20 0.45
HDAC1 Q13547 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44

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
SCHEMBL7464540 0.97 MCHR1 (0.59) MCHR1CCR3CCR1SIGMAR1DRD2
SCHEMBL7461314 0.89 MCHR1 (0.61) MCHR1CCR3CCR1SIGMAR1DRD2
SCHEMBL7460992 0.89 MCHR1 (0.60) MCHR1CCR3CCR1SIGMAR1DRD2
SCHEMBL7464781 0.87 MCHR1 (0.73) MCHR1CCR3CCR1SIGMAR1DRD2
Hydrochloric Acid SCHEMBL7466687 0.86 MCHR1 (0.59) MCHR1SIGMAR1DRD2
SCHEMBL7470937 0.85 MCHR1 (0.58) MCHR1SIGMAR1DRD2
SCHEMBL7462324 0.84 MCHR1 (0.57) MCHR1SIGMAR1DRD2
SCHEMBL7460592 0.84 MCHR1 (0.62) MCHR1CCR3CCR1SIGMAR1DRD2
SCHEMBL7466759 0.84 MCHR1 (0.66) MCHR1
SCHEMBL7470119 0.83 MCHR1 (0.68) MCHR1CCR3CCR1SIGMAR1DRD2

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