SCHEMBL7467488

SCHEMBL7467488

O=C(CNC(=O)OCc1ccccc1)NCC(CCCO)(c1ccccc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.65
ALDH1A1 P00352 1/20 0.47
HTT P42858 2/20 0.45
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FUCA1 P04066 1/20 0.44
PRSS1 P07477 1/20 0.43
TPSAB1 Q15661 1/20 0.43
TPSD1 Q9BZJ3 1/20 0.43
TPSG1 Q9NRR2 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM1A O60341 1/20 0.42
RCOR1 Q9UKL0 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
TGM2 P21980 1/20 0.41
KEAP1 Q14145 1/20 0.40

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
SCHEMBL7462473 0.93 MCHR1 (0.62) MCHR1ALDH1A1HTTLMNANPSR1
SCHEMBL7464939 0.90 MCHR1 (0.64) MCHR1ALDH1A1HTTLMNANPSR1
SCHEMBL7465108 0.87 MCHR1 (0.61) MCHR1ALDH1A1HTTLMNANPSR1
Hydrochloric Acid SCHEMBL7460646 0.83 MCHR1 (0.57) MCHR1ALDH1A1HTTLMNANPSR1
Hydrochloric Acid SCHEMBL7458653 0.83 MCHR1 (0.78) MCHR1ALDH1A1HTTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL7463916 0.83 MCHR1 (0.65) MCHR1ALDH1A1HTTLMNANPSR1
Hydrochloric Acid SCHEMBL7461928 0.83 MCHR1 (0.57) MCHR1ALDH1A1HTTLMNANPSR1
Hydrochloric Acid SCHEMBL7463922 0.82 MCHR1 (0.71) MCHR1ALDH1A1HTTLMNANPSR1
SCHEMBL7465597 0.82 MCHR1 (0.46) MCHR1ALDH1A1HTTLMNASMN1; SMN2
SCHEMBL10954090 0.80 TGM2 (0.59) ALDH1A1HTTLMNASMN1; SMN2FUCA1

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