SCHEMBL8554687

SCHEMBL8554687

CCOC(=O)C1CCN(CCNC(=O)c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
TP53 P04637 4/20 0.42
LMNA P02545 6/20 0.42
MAPT P10636 3/20 0.41
THRB P10828 4/20 0.41
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ACKR3 P25106 2/20 0.39

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
SCHEMBL8550973 0.74 GPR119 (0.51) ALDH1A1
SCHEMBL8623093 0.73 GPR119 (0.49) MAPTTHRB
SCHEMBL17271988 0.73 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1TSHRLMNA
SCHEMBL337418 0.73 ALDH1A1 (0.65) KMT2AMEN1ALDH1A1TSHRMAPT
Hydrochloric Acid SCHEMBL8550451 0.73 L3MBTL1 (0.47) KMT2AMEN1
SCHEMBL31452925 0.72 MEN1 (0.66) KMT2AMEN1ALDH1A1TSHRLMNA
SCHEMBL9408055 0.71 CHRM1 (0.61) KMT2AMEN1ALDH1A1TSHRTP53
SCHEMBL947678 0.71 GPR119 (0.50) MAPTTHRB
SCHEMBL8554518 0.71 L3MBTL1 (0.47) KMT2AMEN1ALDH1A1MAPT
SCHEMBL6643493 0.69 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1TSHRMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0858457-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM Dr. Karl Thomae GmbH (DE) 1998-08-19 EP disclosed
WO-1997015567-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM DR. KARL THOMAE GMBH (DE) 1997-05-01 WO disclosed