SCHEMBL7369967

SCHEMBL7369967

O=C(COc1ccc(N2CCN(CCC3CCNCC3)CC2)cc1OCC(=O)OC1CCCC1)OC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.41
DRD3 P35462 7/20 0.41
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
TPSAB1 Q15661 2/20 0.35
TPSD1 Q9BZJ3 2/20 0.35
TPSG1 Q9NRR2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.34

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 SCHEMBL8473679 0.98 DRD2 (0.42) DRD2DRD3ITGB3ITGA2BHTR1A
Hydrochloric Acid SCHEMBL8473847 0.87 SMN1; SMN2 (0.47) DRD2DRD3HTR1AHTR2AALDH1A1
SCHEMBL7369000 0.87 SMN1; SMN2 (0.44) DRD2DRD3HTR1AHTR2AALDH1A1
SCHEMBL7362005 0.86 ITGB3 (0.52) DRD2DRD3ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8477708 0.86 SMN1; SMN2 (0.46) DRD2DRD3HTR1AHTR2AALDH1A1
Hydrochloric Acid SCHEMBL8473946 0.86 SMN1; SMN2 (0.46) DRD2DRD3HTR1AHTR2AALDH1A1
Hydrochloric Acid SCHEMBL7448812 0.85 ITGB3 (0.51) DRD2DRD3ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7365109 0.85 DRD2 (0.41) DRD2DRD3ITGB3ITGA2BHTR1A
Hydrochloric Acid SCHEMBL7368304 0.74 ITGB3 (0.54) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7433465 0.74 MAPT (0.44) DRD2ALDH1A1RAB9A

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

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