SCHEMBL28741365

SCHEMBL28741365

CC(CC(=N)CC(N)c1ccccc1)c1c[nH]c2ccc(C#N)cc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 3/20 0.41
▸ GAA P10253 3/20 0.41
▸ SI P14410 3/20 0.41
▸ MGAM2 Q2M2H8 3/20 0.41
▸ GUSB P08236 2/20 0.41
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ HTR2A P28223 2/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ HTR2B P41595 2/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SLC6A4 P31645 2/20 0.36
▸ MAP3K14 Q99558 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
SCHEMBL28741367 0.74 GUSB (0.37) MGAMGAASIMGAM2GUSB
SCHEMBL4627913 0.74 MGAM (0.48) MGAMGAASIMGAM2GUSB
SCHEMBL27494914 0.74 MMP1 (0.40) MGAMGAASIMGAM2GUSB
SCHEMBL27532210 0.73 SNCA (0.41) MGAMGAASIMGAM2GUSB
SCHEMBL5239895 0.73 HTR2A (0.48) MGAMGAASIMGAM2GUSB
SCHEMBL27493350 0.72 RORC (0.41) GUSBDRD2DRD4DRD3ALDH1A1
SCHEMBL20078269 0.70 GUSB (0.50) MGAMGAASIMGAM2GUSB
SCHEMBL2075069 0.70 SLC6A4 (0.67) MGAMGAASIMGAM2GUSB
SCHEMBL7364631 0.69 GUSB (0.47) MGAMGAASIMGAM2GUSB
SCHEMBL10754767 0.68 GAA (0.42) MGAMGAASIMGAM2GUSB

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
CN-1223650-A Piperidines and pyrrolidines MERCK PATENT GMBH (DE) 1999-07-21 — — CN disclosed
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