SCHEMBL5225926

SCHEMBL5225926

CC(C)(C)OC(=O)NC1CCN(Cc2cnn(-c3ccc(-c4ccc5c(c4)OCCO5)cc3)c2-c2ccco2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.41
MAPT P10636 4/20 0.39
KDM4D Q6B0I6 4/20 0.38
TP53 P04637 3/20 0.38
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AAK1 Q2M2I8 3/20 0.38
THRB P10828 2/20 0.38
PDCD1 Q15116 2/20 0.38
CD274 Q9NZQ7 2/20 0.38
KDM6A O15550 1/20 0.38

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
SCHEMBL5226715 0.81 ALDH1A1 (0.37) MCHR1MAPTTP53LMNAUSP2
SCHEMBL5230509 0.80 POLB (0.41) TP53ALDH1A1SMN1; SMN2PDCD1CD274
SCHEMBL5225931 0.78 TP53 (0.33) MAPTTP53LMNAAAK1THRB
SCHEMBL5229335 0.78 ALDH1A1 (0.42) MCHR1MAPTTP53LMNAUSP2
SCHEMBL5226166 0.76 ALDH1A1 (0.41) MAPTTP53LMNAUSP2ALDH1A1
SCHEMBL5225937 0.73 KDM4D (0.49) KDM4DKDM6A
SCHEMBL5225463 0.72 ALDH1A1 (0.41) MAPTTP53LMNAUSP2ALDH1A1
SCHEMBL21397260 0.70 MAPT (0.47) MAPTKDM4D
SCHEMBL13849470 0.69 MCHR1 (0.70) MCHR1
SCHEMBL17981132 0.68 AKT1 (0.43) MCHR1

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
EP-1611122-B1 SUBSTITUTED PYRAZOLE COMPOUNDS MERCK PATENT GMBH (DE) 2007-06-13 EP disclosed