SCHEMBL7465122

SCHEMBL7465122

O=CCN(NCC(CCI)(c1ccccc1)c1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.37
PAX8 Q06710 1/20 0.37
MCHR1 Q99705 1/20 0.36
LMNA P02545 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HCAR2 Q8TDS4 1/20 0.34
HTR2C P28335 1/20 0.34
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA12 O43570 1/20 0.33
AKR1B10 O60218 1/20 0.33

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
SCHEMBL7464946 0.94 MCHR1 (0.39) CCR6PAX8MCHR1LMNASIGMAR1
SCHEMBL7462484 0.90 CCR6 (0.40) CCR6PAX8MCHR1LMNASIGMAR1
SCHEMBL7467499 0.88 CCR6 (0.41) CCR6PAX8MCHR1LMNASIGMAR1
Hydrochloric Acid SCHEMBL7460657 0.82 SIGMAR1 (0.39) CCR6PAX8MCHR1SIGMAR1CHRM2
Hydrochloric Acid SCHEMBL7461937 0.82 HTR7 (0.39) CCR6PAX8MCHR1SIGMAR1CHRM2
Hydrochloric Acid SCHEMBL7458660 0.81 MCHR1 (0.51) MCHR1LMNASIGMAR1CHRM2CHRM5
Hydrochloric Acid SCHEMBL7463934 0.81 MCHR1 (0.45) CCR6PAX8MCHR1CHRM2CHRM5
SCHEMBL7465787 0.80 LMNA (0.41) LMNAKMT2ACCR5
Hydrochloric Acid SCHEMBL7465870 0.79 MCHR1 (0.59) MCHR1SIGMAR1ALDH1A1CCR5
SCHEMBL7463105 0.78 MCHR1 (0.65) MCHR1SIGMAR1KMT2ACCR5

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