SCHEMBL7424664

SCHEMBL7424664

CC(C)(C)OC(=O)N1CCc2ccc(-n3ccn(C4CCN(Cc5ccccc5)CC4)c3=O)cc2CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
TP53 P04637 8/20 0.43
THRB P10828 1/20 0.42
MAPT P10636 1/20 0.42
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
ESR2 Q92731 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
LMNA P02545 1/20 0.39
STS P08842 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NR1H2 P55055 1/20 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
SCHEMBL7415517 0.85 DRD2 (0.43) DRD2DRD4DRD3LMNA
SCHEMBL4224097 0.79 GPR119 (0.58) TP53THRBMAPTGPR119STS
SCHEMBL2897131 0.74 TP53 (0.53) TP53THRBMAPTGPR119LMNA
SCHEMBL1789927 0.74 DRD2 (0.57) DRD2DRD4
SCHEMBL3570582 0.74 ACHE (0.61) TP53THRBMAPTGPR119STS
SCHEMBL3779080 0.72 CHRM4 (0.56) TP53THRBMAPTGPR119STS
SCHEMBL7849387 0.71 GPR119 (0.55) DRD2DRD4GPR119
Hydrochloric Acid SCHEMBL3966170 0.71 CHRM4 (0.55) TP53THRBMAPTGPR119STS
SCHEMBL2862442 0.71 ALDH1A1 (0.60) TP53THRBMAPTLMNA
SCHEMBL7848865 0.71 CHRM4 (0.47) TP53THRBMAPTGPR119PRMT5

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-0777667-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT Dr. Karl Thomae GmbH (DE) 1997-06-11 EP disclosed
WO-1996005194-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT DR. KARL THOMAE GMBH (DE) 1996-02-22 WO disclosed