SCHEMBL13460163

SCHEMBL13460163

CC(C)(C)OC(=O)N1CCCN(c2ccc(NO)c(C(=O)O)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ PDK2 Q15119 1/20 0.48
▸ CKS1B P61024 1/20 0.45
▸ SKP1 P63208 1/20 0.45
▸ SKP2 Q13309 1/20 0.45
▸ NAMPT P43490 1/20 0.45
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ GPR119 Q8TDV5 3/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KEAP1 Q14145 1/20 0.44
▸ NFE2L2 Q16236 1/20 0.44
▸ ALK Q9UM73 3/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TSHR P16473 1/20 0.43

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
SCHEMBL13460146 0.82 MAPT (0.54) MAPTALDH1A1LMNAPDK2NAMPT
SCHEMBL1919801 0.81 ALDH1A1 (0.60) MAPTALDH1A1LMNAPDK2CKS1B
SCHEMBL20231640 0.80 SUV39H2 (0.49) MAPTALDH1A1LMNAPDK2CKS1B
SCHEMBL30952688 0.80 MAPT (0.55) MAPTALDH1A1LMNAPDK2NAMPT
SCHEMBL28738184 0.80 MAPT (0.52) MAPTALDH1A1LMNAPDK2NAMPT
SCHEMBL25202323 0.79 IP6K1 (0.60) MAPTALDH1A1LMNAPDK2NAMPT
SCHEMBL7232828 0.79 MAPT (0.55) MAPTALDH1A1LMNAPDK2NAMPT
SCHEMBL7234678 0.78 MAPT (0.54) MAPTALDH1A1LMNAPDK2NAMPT
SCHEMBL4429857 0.78 MAPT (0.55) MAPTALDH1A1LMNAPDK2CKS1B
SCHEMBL5235793 0.78 MAPT (0.55) MAPTALDH1A1LMNAPDK2CKS1B

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
WO-2010031707-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 — — WO disclosed
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