SCHEMBL7456306

SCHEMBL7456306

O=CCN(NCC(CCCN1CCC(Oc2ccccc2)CC1)(c1ccccc1)c1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.51
CHRM2 P08172 1/20 0.46
CHRM3 P20309 1/20 0.46
BCHE P06276 4/20 0.39
CCR3 P51677 2/20 0.39
CCR5 P51681 4/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
CCR1 P32246 1/20 0.39
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL7463105 0.88 MCHR1 (0.65) MCHR1CCR3CCR5CCR1MEN1
Hydrochloric Acid SCHEMBL7466982 0.87 MCHR1 (0.51) MCHR1CCR3MEN1KMT2A
Hydrochloric Acid SCHEMBL7463703 0.87 MCHR1 (0.64) MCHR1CCR3CCR5MEN1KMT2A
Hydrochloric Acid SCHEMBL7458660 0.86 MCHR1 (0.51) MCHR1CHRM2CHRM3CCR3CCR1
Hydrochloric Acid SCHEMBL7456215 0.86 MCHR1 (0.50) MCHR1CHRM2CHRM3CCR3CCR5
SCHEMBL7462119 0.86 MCHR1 (0.50) MCHR1CHRM2CHRM3CCR3CCR5
SCHEMBL7463245 0.85 MCHR1 (0.53) MCHR1CHRM2CHRM3BCHECCR3
Hydrochloric Acid SCHEMBL7466911 0.84 MCHR1 (0.56) MCHR1CHRM3CCR3CCR1OPRM1
Hydrochloric Acid SCHEMBL7466657 0.84 MCHR1 (0.54) MCHR1CCR3OPRM1
Hydrochloric Acid SCHEMBL7461507 0.84 MCHR1 (0.58) MCHR1BCHECCR3CCR5CCR1

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