SCHEMBL6676360

SCHEMBL6676360

CN(C)C(c1cccc(F)c1)C1CCCCC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.44
CA1 P00915 3/20 0.42
OPRM1 P35372 2/20 0.41
SLC6A4 P31645 1/20 0.41
KDR P35968 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
CCR5 P51681 1/20 0.36
TSHR P16473 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL6676417 0.85 CA1 (0.43) CA1OPRM1SLC6A4KDRSLC6A3
SCHEMBL6943357 0.84 MAPT (0.46) OPRL1CA1OPRM1SLC6A4KDR
SCHEMBL6934444 0.83 ALDH1A1 (0.44) CA1ALDH1A1MAPTKDM4EHPGD
SCHEMBL5375903 0.83 CA1 (0.55) CA1ALDH1A1MAPTKDM4EHPGD
SCHEMBL6676434 0.82 ALDH1A1 (0.49) CA1OPRM1SLC6A4KDRSLC6A3
SCHEMBL11794387 0.82 CA1 (0.54) CA1ALDH1A1MAPTKDM4EHPGD
SCHEMBL6939049 0.80 ALDH1A1 (0.45) CA1OPRM1SLC6A4KDRSLC6A3
SCHEMBL6937407 0.79 MAPT (0.60) CA1SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL3587092 0.77 OPRL1 (0.49) OPRL1OPRM1SLC6A4KDRSLC6A3
SCHEMBL11810654 0.77 ALDH1A1 (0.43) CA1OPRM1SLC6A4KDRSLC6A3

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-1289514-B1 USE OF SUBSTITUTED 1-AMINO-5-PHENYLPENTANE-3-OL AND/OR 1-AMINO-6-PHENYLHEXANE-3-OL COMPOUNDS AS MEDICAMENTS GRUENENTHAL GMBH (DE) 2004-11-03 EP disclosed