SCHEMBL28741367

SCHEMBL28741367

CC(CC(=N)CCNc1ccccn1)c1c[nH]c2ccc(C#N)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 2/20 0.37
▸ MGAM O43451 3/20 0.36
▸ GAA P10253 3/20 0.36
▸ SI P14410 3/20 0.36
▸ MGAM2 Q2M2H8 3/20 0.36
▸ MAP3K14 Q99558 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ USP2 O75604 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CLK4 Q9HAZ1 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ DRD2 P14416 1/20 0.34

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
SCHEMBL27524768 0.93 GUSB (0.37) GUSBMEN1USP2CYP1A2CYP3A4
SCHEMBL27494526 0.86 ALDH1A1 (0.42) LMNAALDH1A1
SCHEMBL27494914 0.85 MMP1 (0.40) GUSBMGAMGAASIMGAM2
SCHEMBL27532210 0.81 SNCA (0.41) GUSBMGAMGAASIMGAM2
SCHEMBL27510950 0.81 TDO2 (0.42) LMNAALDH1A1
SCHEMBL27493698 0.80 SLC6A4 (0.47) MEN1USP2CYP1A2CYP3A4CYP2D6
SCHEMBL27557415 0.78 GAA (0.40) GUSBGAAMEN1CYP1A2KMT2A
SCHEMBL28741365 0.74 MGAM (0.41) GUSBMGAMGAASIMGAM2
SCHEMBL27495318 0.74 GUSB (0.39) GUSBMEN1KMT2ALMNAALDH1A1
SCHEMBL27510621 0.73 ITGB3 (0.48) GAAMEN1CYP1A2CYP2D6CYP2C19

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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