SCHEMBL5794728

SCHEMBL5794728

CC(=O)N1CCc2ccc(F)cc21.CC(=O)N1CCc2ccc(F)cc21

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 8/20 0.77
XIAP P98170 1/20 0.53
CYP11B2 P19099 4/20 0.52
CYP11B1 P15538 1/20 0.52
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 3/20 0.51
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
CHRM2 P08172 1/20 0.50
CHRM3 P20309 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL5764618 1.00 NOTUM (0.77) NOTUMXIAPCYP11B2CYP11B1ALDH1A1
SCHEMBL30292335 1.00 NOTUM (0.77) NOTUMXIAPCYP11B2CYP11B1ALDH1A1
SCHEMBL24011066 0.90 NOTUM (0.63) NOTUMLMNACHRM2CHRM3
SCHEMBL2205988 0.87 NOTUM (1.00) NOTUMCYP11B2CYP11B1ALDH1A1SMN1; SMN2
SCHEMBL4108434 0.85 NOTUM (0.55) NOTUMXIAPALDH1A1SMN1; SMN2DRD2
SCHEMBL30292326 0.83 NOTUM (0.54) NOTUMXIAPCYP11B2ALDH1A1SMN1; SMN2
SCHEMBL26691140 0.83 DRD2 (0.54) NOTUMXIAPALDH1A1SMN1; SMN2DRD2
SCHEMBL6970556 0.83 XIAP (0.57) NOTUMXIAPSMN1; SMN2LMNADRD2
SCHEMBL429841 0.81 NOTUM (0.76) NOTUMXIAPALDH1A1SMN1; SMN2LMNA
SCHEMBL8141492 0.81 NOTUM (0.69) NOTUMALDH1A1SMN1; SMN2LMNADRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1701954-A1 N-SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES Warner-Lambert Company LLC (US) 2006-09-20 EP disclosed
WO-2005066165-A1 N-SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2005-07-21 WO disclosed