SCHEMBL9239494

SCHEMBL9239494

ClCCCOc1cccc2c1OCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.47
HTR1A P08908 4/20 0.45
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
SLC6A4 P31645 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
MCHR1 Q99705 2/20 0.37
AOC3 Q16853 1/20 0.35
EED O75530 1/20 0.35
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL9236154 0.95 MTNR1A (0.48) MTNR1AHTR1AKMT2ATDP1L3MBTL1
SCHEMBL9238978 0.94 MTNR1A (0.47) MTNR1AHTR1AKMT2ATDP1L3MBTL1
SCHEMBL8584312 0.87 MTNR1A (0.60) MTNR1AHTR1ASLC6A4
SCHEMBL25335293 0.85 HTR1B (0.46) MTNR1AHTR1AKMT2ATDP1L3MBTL1
SCHEMBL13534270 0.85 MTNR1A (0.50) MTNR1AHTR1AKMT2ATDP1L3MBTL1
SCHEMBL5871763 0.85 MTNR1A (0.46) MTNR1AHTR1AKMT2ATDP1L3MBTL1
Hydrochloric Acid SCHEMBL25334638 0.84 HTR1B (0.45) MTNR1AHTR1AKMT2ATDP1L3MBTL1
SCHEMBL10339701 0.84 MTNR1A (0.50) MTNR1AHTR1AKMT2ATDP1L3MBTL1
SCHEMBL4309152 0.83 MTNR1A (0.48) MTNR1AHTR1AKMT2ATDP1L3MBTL1
SCHEMBL3298869 0.83 MTNR1A (0.49) MTNR1AHTR1AKMT2AALDH1A1MCHR1

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-0652217-A1 N-substituted imidazole derivatives MITSUBISHI CHEMICAL CORPORATION (JP) 1995-05-10 EP disclosed