SCHEMBL6178255

SCHEMBL6178255

CC1CCCCC1.COc1ccc(F)cc1C1CCN(C[C@@H](Cc2ccccc2)N(C)C(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.45
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
CCR5 P51681 1/20 0.40
NTSR1 P30989 1/20 0.39
CHRM4 P08173 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL7958707 0.87 HTR1A (0.43) HTR1AKMT2AMEN1PTGDR2OPRD1
SCHEMBL7955962 0.85 HTR1A (0.42) HTR1AKMT2AMEN1PTGDR2OPRD1
Cyclohexane SCHEMBL6180435 0.81 MEN1 (0.48) HTR1AKMT2AMEN1CHRM4MAPK1
Cyclohexane SCHEMBL6178387 0.79 MEN1 (0.48) HTR1AKMT2AMEN1CHRM4MAPK1
SCHEMBL6176757 0.78 KMT2A (0.48) KMT2AMEN1CHRM4MAPK1
SCHEMBL27509799 0.77 KMT2A (0.47) KMT2AMEN1CHRM4MAPK1
SCHEMBL6177497 0.75 MEN1 (0.51) KMT2AMEN1MAPK1
SCHEMBL6176762 0.75 MEN1 (0.51) KMT2AMEN1CHRM4MAPK1
SCHEMBL6176194 0.75 MEN1 (0.52) HTR1AKMT2AMEN1CHRM4MAPK1
SCHEMBL6177728 0.74 HTR1A (0.56) HTR1AKMT2AMEN1CHRM4

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-1140830-B1 ARYLPIPERIDINE AND ARYL-1,2,5,6-TETRAHYDROPYRIDINE AMIDE DERIVATIVES HAVING 5HT1A RECEPTOR ACTIVITY WYETH CORP (US) 2005-05-04 EP claimed