SCHEMBL7459360

SCHEMBL7459360

O=C(Cl)c1ccc(N2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.71
▸ HTR2C P28335 1/20 0.71
▸ HTR2B P41595 1/20 0.71
▸ DRD4 P21917 3/20 0.68
▸ HDAC4 P56524 2/20 0.62
▸ HDAC1 Q13547 2/20 0.62
▸ HDAC3 O15379 1/20 0.62
▸ HDAC7 Q8WUI4 1/20 0.62
▸ HDAC2 Q92769 1/20 0.62
▸ HDAC10 Q969S8 1/20 0.62
▸ HDAC11 Q96DB2 1/20 0.62
▸ HDAC8 Q9BY41 1/20 0.62
▸ HDAC6 Q9UBN7 1/20 0.62
▸ HDAC9 Q9UKV0 1/20 0.62
▸ HDAC5 Q9UQL6 1/20 0.62
▸ HTR7 P34969 2/20 0.59
▸ MAPT P10636 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ ITGB3 P05106 3/20 0.56
▸ ITGA2B P08514 3/20 0.56

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
SCHEMBL1066467 0.89 HTR2A (0.72) HTR2AHTR2CHTR2BDRD4HDAC4
Hydrochloric Acid SCHEMBL4653252 0.88 HTR2A (0.71) HTR2AHTR2CHTR2BDRD4HDAC4
SCHEMBL1482123 0.87 HTR2A (0.69) HTR2AHTR2CHTR2BDRD4HDAC4
SCHEMBL2744427 0.87 HTR2A (0.69) HTR2AHTR2CHTR2BDRD4HDAC4
Hydrochloric Acid SCHEMBL9742137 0.85 HTR2A (0.67) HTR2AHTR2CHTR2BDRD4HDAC4
SCHEMBL9407904 0.84 HDAC4 (0.72) HTR2AHTR2CHTR2BDRD4HDAC4
SCHEMBL12341280 0.84 HDAC1 (0.81) HTR2AHTR2CHTR2BDRD4HDAC4
SCHEMBL12033410 0.84 HTR2A (0.66) HTR2AHTR2CHTR2BDRD4HDAC4
SCHEMBL27619102 0.84 HTR2A (0.70) HTR2AHTR2CHTR2BDRD4HDAC4
SCHEMBL12053542 0.84 HTR2A (0.66) HTR2AHTR2CHTR2BDRD4HDAC4

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-6069143-A Fibrinogen receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-05-30 — — US disclosed
EP-0885213-A4 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-04-28 — — EP disclosed
EP-0885213-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-12-23 — — EP disclosed
WO-1997025323-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-17 — — WO disclosed
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