SCHEMBL7465506

SCHEMBL7465506

O=C(CCNC(=O)OCc1ccccc1)NCC(CCCN1CCC(c2ccccc2)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.84
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CCR3 P51677 8/20 0.45
CCR1 P32246 7/20 0.45
GAA P10253 1/20 0.43
SIGMAR1 Q99720 3/20 0.42
F13A1 P00488 1/20 0.41
TGM2 P21980 1/20 0.41
TGM1 P22735 1/20 0.41
HTR7 P34969 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL7462251 0.96 MCHR1 (0.82) MCHR1MEN1KMT2ACCR3CCR1
SCHEMBL7463098 0.91 MCHR1 (1.00) MCHR1MEN1KMT2ACCR3CCR1
Hydrochloric Acid SCHEMBL7463694 0.90 MCHR1 (0.98) MCHR1MEN1KMT2ACCR3CCR1
SCHEMBL7459157 0.88 MCHR1 (0.67) MCHR1MEN1KMT2ACCR3CCR1
SCHEMBL7467049 0.87 MCHR1 (0.73) MCHR1MEN1KMT2ACCR3CCR1
SCHEMBL7463748 0.86 MCHR1 (0.78) MCHR1MEN1KMT2ACCR3CCR1
Hydrochloric Acid SCHEMBL7465860 0.86 MCHR1 (0.90) MCHR1CCR1SIGMAR1F13A1TGM2
SCHEMBL7462063 0.86 MCHR1 (0.89) MCHR1CCR3CCR1SIGMAR1
Hydrochloric Acid SCHEMBL7461498 0.85 MCHR1 (0.87) MCHR1CCR3CCR1
SCHEMBL7470308 0.85 MCHR1 (0.70) MCHR1MEN1KMT2ACCR3CCR1

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