SCHEMBL7526133

SCHEMBL7526133

N#CC(CCCN1CCC(c2ccccc2)CC1)(c1ccccc1)c1ccccc1.NCC(CCCN1CCC(c2ccccc2)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 4/20 0.72
CCR3 P51677 3/20 0.60
CCR1 P32246 7/20 0.50

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
SCHEMBL7470794 0.92 KCNA3 (0.85) KCNA3CCR3CCR1
SCHEMBL7461929 0.89 SIGMAR1 (0.57) KCNA3CCR3CCR1
SCHEMBL11712812 0.84 KCNA3 (1.00) KCNA3CCR3CCR1
SCHEMBL7455681 0.82 SIGMAR1 (0.55) KCNA3CCR3CCR1
Hydrochloric Acid SCHEMBL7463379 0.81 SIGMAR1 (0.53) KCNA3
SCHEMBL7464873 0.81 MCHR1 (0.56) KCNA3CCR3CCR1
SCHEMBL7460786 0.80 DRD2 (0.52) KCNA3CCR3CCR1
SCHEMBL9103936 0.78 KCNA3 (0.85) KCNA3CCR3CCR1
SCHEMBL7463216 0.75 MCHR1 (0.60) KCNA3
Hydrochloric Acid SCHEMBL7469999 0.74 MCHR1 (0.59) KCNA3

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