SCHEMBL7332018

SCHEMBL7332018

O=C(O)Cc1ccccc1OCCN1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.67
DRD1 P21728 4/20 0.67
DRD3 P35462 4/20 0.67
DRD4 P21917 3/20 0.67
DRD5 P21918 3/20 0.67
DRD2 P14416 3/20 0.67
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
KDM4E B2RXH2 4/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
GAA P10253 1/20 0.58
TSHR P16473 1/20 0.57
ABCB1 P08183 1/20 0.57
ALDH1A1 P00352 2/20 0.55
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL9268966 0.93 L3MBTL1 (0.72) HRH1DRD1DRD3DRD4DRD5
SCHEMBL8475269 0.92 L3MBTL1 (0.74) HRH1DRD1DRD3DRD4DRD5
SCHEMBL6689247 0.86 DRD1 (0.68) HRH1DRD1DRD3DRD4DRD5
SCHEMBL11727425 0.85 ABCB1 (0.67) HRH1DRD1DRD3DRD4DRD5
SCHEMBL14970678 0.82 MEN1 (0.73) HRH1DRD1DRD3DRD4DRD5
SCHEMBL14970672 0.82 MEN1 (0.73) HRH1DRD1DRD3DRD4DRD5
Hydrochloric Acid SCHEMBL14966426 0.81 MEN1 (0.71) HRH1DRD1DRD3DRD4DRD5
Hydrochloric Acid SCHEMBL30192529 0.81 MEN1 (0.71) HRH1DRD1DRD3DRD4DRD5
Hydrochloric Acid SCHEMBL14969476 0.81 MEN1 (0.71) HRH1DRD1DRD3DRD4DRD5
SCHEMBL4477130 0.81 L3MBTL1 (0.74) HRH1DRD1DRD3DRD4DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767792-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-5977101-A Benzimidazoles/Imidazoles Linked to a Fibrinogen Receptor Antagonist Template Having Vitronectin Receptor Antagonist Activity SMITHKLINE BEECHAM CORPORATION (US) 1999-11-02 US disclosed
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
EP-0767792-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-04-16 EP disclosed
WO-1996000730-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 WO disclosed