SCHEMBL7364747

SCHEMBL7364747

CC(C)COC(=O)COc1ccc(N2CCN(CCC3CCNCC3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.41
DRD3 P35462 4/20 0.41
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
POLB P06746 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CHRM4 P08173 1/20 0.39
ATM Q13315 1/20 0.39
DRD4 P21917 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL7366559 0.86 DRD2 (0.48) DRD2DRD3POLBDRD4GAA
Hydrochloric Acid SCHEMBL8479138 0.86 THRB (0.46) HRH3ALDH1A1HPGDKMT2A
SCHEMBL7366116 0.84 ITGB3 (0.51) DRD2DRD3HRH3MAPK1
Hydrochloric Acid SCHEMBL7361494 0.83 ITGB3 (0.50) DRD2DRD3HRH3MAPK1
SCHEMBL7369000 0.82 SMN1; SMN2 (0.44) DRD2DRD3HTR1AHTR2AHRH3
Hydrochloric Acid SCHEMBL8473847 0.82 SMN1; SMN2 (0.47) DRD2DRD3HTR1AHTR2AHRH3
Hydrochloric Acid SCHEMBL8473946 0.81 SMN1; SMN2 (0.46) DRD2DRD3HTR1AHTR2AHRH3
Hydrochloric Acid SCHEMBL8477708 0.81 SMN1; SMN2 (0.46) DRD2DRD3HTR1AHTR2AHRH3
Hydrochloric Acid SCHEMBL8477389 0.80 ATM (0.42) DRD2DRD3HTR1AHTR2APOLB
SCHEMBL7397460 0.79 DRD2 (0.47) DRD2DRD3HTR1ACHRM4DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5994356-A ANTICOAGULANT KARL THOMAE (DE) 1999-11-30 US disclosed
EP-0892783-A1 CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION Dr. Karl Thomae GmbH (DE) 1999-01-27 EP disclosed
WO-1997037975-A1 CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION DR. KARL THOMAE GMBH (DE) 1997-10-16 WO disclosed