SCHEMBL1648457

SCHEMBL1648457

C=CCc1cccc(N2CCC(N)CC2)c1CC=C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
BRD9 Q9H8M2 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
DRD2 P14416 2/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL5073799 0.72 MEN1 (0.41) MEN1KMT2AHTR3EHTR3BCYP1A2
SCHEMBL19185898 0.70 MEN1 (0.50) MEN1KMT2AHTR3EHTR3BCYP1A2
SCHEMBL18136 0.70 GABRA1 (0.56) MEN1KMT2AGAAGABRA1GABRB2
SCHEMBL3801597 0.69 MEN1 (0.39) MEN1KMT2AHTR3EHTR3BCYP1A2
SCHEMBL5073795 0.67 MEN1 (0.42) MEN1KMT2AHTR3EHTR3BCYP1A2
SCHEMBL2457516 0.66 MEN1 (0.49) MEN1KMT2AHTR3EHTR3BCYP1A2
Ammonia Solution, Strong SCHEMBL1479416 0.66 KEAP1 (0.46) MEN1KMT2AGAABRD9ALDH1A1
SCHEMBL11506767 0.66 GAA (0.72) MEN1KMT2AHTR3EHTR3BCYP1A2
SCHEMBL1570705 0.66 GABRA1 (0.47) MEN1KMT2ATSHRGAAGABRA1
SCHEMBL2362269 0.65 GABRA1 (0.61) MEN1KMT2ACYP1A2CYP2D6ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011047981-A1 USE OF A DIALKYLPHENYL-4-AMINOPIPERIDINE AS AGENT FOR THE TREATMENT OF HUMAN PERSPIRATION; NOVEL COMPOUNDS AND COMPOSITIONS COMPRISING THEM L'OREAL (FR) 2011-04-28 WO claimed
WO-2011047981-A1 USE OF A DIALKYLPHENYL-4-AMINOPIPERIDINE AS AGENT FOR THE TREATMENT OF HUMAN PERSPIRATION; NOVEL COMPOUNDS AND COMPOSITIONS COMPRISING THEM L'OREAL (FR) 2011-04-28 WO disclosed
WO-2011047981-A1 USE OF A DIALKYLPHENYL-4-AMINOPIPERIDINE AS AGENT FOR THE TREATMENT OF HUMAN PERSPIRATION; NOVEL COMPOUNDS AND COMPOSITIONS COMPRISING THEM L'OREAL (FR) 2011-04-28 WO disclosed