SCHEMBL7465108

SCHEMBL7465108

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.61
ALDH1A1 P00352 1/20 0.48
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PRSS1 P07477 2/20 0.44
TPSAB1 Q15661 2/20 0.44
TPSD1 Q9BZJ3 1/20 0.44
TPSG1 Q9NRR2 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM1A O60341 1/20 0.43
RCOR1 Q9UKL0 1/20 0.43
FUCA1 P04066 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
PREP P48147 2/20 0.40
CYP3A4 P08684 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
SCHEMBL7464939 0.93 MCHR1 (0.64) MCHR1ALDH1A1LMNASMN1; SMN2PRSS1
SCHEMBL7462473 0.89 MCHR1 (0.62) MCHR1ALDH1A1LMNASMN1; SMN2PRSS1
SCHEMBL7467488 0.87 MCHR1 (0.65) MCHR1ALDH1A1LMNASMN1; SMN2PRSS1
Hydrochloric Acid SCHEMBL7461928 0.80 MCHR1 (0.57) MCHR1ALDH1A1LMNASMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL7458653 0.80 MCHR1 (0.78) MCHR1ALDH1A1LMNASMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL7460646 0.80 MCHR1 (0.57) MCHR1ALDH1A1LMNAMAPK1HTT
Hydrochloric Acid SCHEMBL7463916 0.80 MCHR1 (0.65) MCHR1ALDH1A1LMNASMN1; SMN2PRSS1
Hydrochloric Acid SCHEMBL7463922 0.79 MCHR1 (0.71) MCHR1ALDH1A1LMNATPSAB1TPSD1
SCHEMBL24297219 0.78 ALDH1A1 (0.55) MCHR1ALDH1A1LMNASMN1; SMN2PRSS1
SCHEMBL1289835 0.78 ALDH1A1 (0.55) MCHR1ALDH1A1LMNASMN1; SMN2PRSS1

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