SCHEMBL6950839

SCHEMBL6950839

CN(C(=O)O)[C@H](CSc1ccccc1)C(=O)CCl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 4/20 0.44
▸ MTNR1B P49286 4/20 0.44
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ MMP2 P08253 4/20 0.39
▸ MMP9 P14780 4/20 0.39
▸ ACKR3 P25106 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ MMP3 P08254 3/20 0.36

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
SCHEMBL6946909 1.00 MTNR1A (0.44) MTNR1AMTNR1BMAOAMAOBALDH1A1
SCHEMBL6951197 0.84 MTNR1A (0.41) MTNR1AMTNR1BMAOAMAOBALDH1A1
SCHEMBL6946996 0.84 MTNR1A (0.41) MTNR1AMTNR1BMAOAMAOBALDH1A1
SCHEMBL6950297 0.83 MTNR1A (0.40) MTNR1AMTNR1BMAOAMAOBALDH1A1
SCHEMBL6945466 0.83 MTNR1A (0.40) MTNR1AMTNR1BMAOAMAOBALDH1A1
SCHEMBL6948585 0.81 RAB9A (0.43) MTNR1AMTNR1BMAOAMAOBALDH1A1
SCHEMBL6944345 0.81 RAB9A (0.43) MTNR1AMTNR1BMAOAMAOBALDH1A1
SCHEMBL7152295 0.77 MTNR1A (0.42) MTNR1AMTNR1BMAOAMAOBALDH1A1
SCHEMBL7152298 0.77 MTNR1A (0.42) MTNR1AMTNR1BMAOAMAOBALDH1A1
SCHEMBL8603114 0.76 HPGD (0.47) ALDH1A1SMN1; SMN2KMT2ANPC1HTT

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-0827943-B1 PROCESSES FOR THE REDUCTION OF CARBONYL COMPOUNDS KANEKA CORP (JP) 2003-05-21 — — EP claimed
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