SCHEMBL7463245

SCHEMBL7463245

O=CCN(NCC(CCCN1CCC(c2ccccc2F)CC1)(c1ccccc1)c1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.53
CHRM4 P08173 1/20 0.40
CCR5 P51681 7/20 0.39
CCR3 P51677 3/20 0.38
CCR1 P32246 2/20 0.37
OPRL1 P41146 1/20 0.36
BCHE P06276 2/20 0.36
CACNA1G O43497 1/20 0.35
KCNH2 Q12809 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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
Hydrochloric Acid SCHEMBL7465687 0.99 MCHR1 (0.52) MCHR1CHRM4CCR5CCR3CCR1
SCHEMBL7463105 0.89 MCHR1 (0.65) MCHR1CCR5CCR3CCR1
SCHEMBL7459761 0.89 MCHR1 (0.51) MCHR1CHRM4CCR5CACNA1GKCNH2
Hydrochloric Acid SCHEMBL7463703 0.89 MCHR1 (0.64) MCHR1CCR5CCR3
Hydrochloric Acid SCHEMBL7462023 0.88 MCHR1 (0.51) MCHR1CHRM4CCR5CACNA1GKCNH2
Hydrochloric Acid SCHEMBL7461507 0.88 MCHR1 (0.58) MCHR1CHRM4CCR5CCR3CCR1
SCHEMBL7463862 0.88 MCHR1 (0.42) MCHR1CHRM4CCR3CCR1OPRL1
SCHEMBL7458844 0.87 MCHR1 (0.56) MCHR1CHRM4CCR5CCR3CCR1
Hydrochloric Acid SCHEMBL7455711 0.87 MCHR1 (0.47) MCHR1CCR5CCR3
Hydrochloric Acid SCHEMBL7465359 0.86 MCHR1 (0.56) MCHR1CHRM4CCR5CCR3CCR1

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 2 patents. 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 claimed
EP-1219294-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed