SCHEMBL10965626

SCHEMBL10965626

Cc1cccc(C(=O)C2CCN(C)CC2)c1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.60
HSD11B1 P28845 1/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
HTR1F P30939 2/20 0.56
ALDH1A1 P00352 1/20 0.53
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.49
EPHX2 P34913 1/20 0.48
NOTUM Q6P988 1/20 0.47

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
SCHEMBL5215489 0.88 HTR1F (0.61) MGLLHSD11B1MEN1KMT2AHTR1F
SCHEMBL5208639 0.87 HTR1F (0.73) MEN1KMT2AHTR1FPOLB
SCHEMBL6183451 0.87 ALDH1A1 (0.61) MGLLHSD11B1MEN1KMT2AALDH1A1
SCHEMBL5210817 0.86 HTR1F (0.65) KMT2AHTR1F
SCHEMBL16447329 0.85 MGLL (0.64) MGLLHSD11B1MEN1KMT2AALDH1A1
SCHEMBL5212220 0.84 MGLL (0.63) MGLLHTR1F
SCHEMBL5210802 0.84 HTR1F (0.46) MGLLHSD11B1MEN1KMT2AHTR1F
SCHEMBL5210311 0.84 HTR1F (0.62) MEN1KMT2AHTR1FALDH1A1NPSR1
SCHEMBL4223027 0.83 HTR1F (0.55) MGLLMEN1KMT2AHTR1FALDH1A1
SCHEMBL4223030 0.83 MGLL (0.59) MGLLHSD11B1MEN1KMT2AHTR1F

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
CN-105408323-B Piperidines urea derivative 默克专利股份公司 2018-03-13 CN disclosed
EP-0037265-B1 3-(1-PIPERIDINYLALKYL)-4H-PYRIDO(1,2-A)PYRIMIDIN-4-ONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1985-01-23 EP disclosed
EP-0013612-B1 (PIPERIDINYLALKYL)QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JANSSEN PHARMACEUTICA N.V. (BE) 1983-11-09 EP disclosed