SCHEMBL7464946

SCHEMBL7464946

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.39
CCR6 P51684 1/20 0.38
PAX8 Q06710 1/20 0.38
CHRM2 P08172 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
LMNA P02545 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
CCR3 P51677 1/20 0.33
HTR2C P28335 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HCAR2 Q8TDS4 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HTT P42858 1/20 0.32
CA12 O43570 1/20 0.32
AKR1B10 O60218 1/20 0.32
AKR1B1 P15121 1/20 0.32
CA4 P22748 1/20 0.32

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
SCHEMBL7465122 0.94 CCR6 (0.37) MCHR1CCR6PAX8CHRM2CHRM5
SCHEMBL7467499 0.90 CCR6 (0.41) MCHR1CCR6PAX8CHRM2CHRM5
SCHEMBL7462484 0.88 CCR6 (0.40) MCHR1CCR6PAX8CHRM2CHRM5
Hydrochloric Acid SCHEMBL7460657 0.84 SIGMAR1 (0.39) MCHR1CCR6PAX8CHRM2CHRM5
Hydrochloric Acid SCHEMBL7461937 0.84 HTR7 (0.39) MCHR1CCR6PAX8CHRM2CHRM5
Hydrochloric Acid SCHEMBL7463934 0.83 MCHR1 (0.45) MCHR1CCR6PAX8CHRM2CHRM5
Hydrochloric Acid SCHEMBL7458660 0.83 MCHR1 (0.51) MCHR1CHRM2CHRM5CHRM1CHRM3
SCHEMBL7463105 0.80 MCHR1 (0.65) MCHR1SIGMAR1CCR3CCR5KMT2A
SCHEMBL7466059 0.80 LMNA (0.40) MCHR1LMNACCR5KMT2A
Hydrochloric Acid SCHEMBL7454978 0.80 MCHR1 (0.44) MCHR1CCR3L3MBTL1

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