SCHEMBL6594333

SCHEMBL6594333

COC(=O)c1ccc(CN2CCOCC2)c(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ MAPK1 P28482 1/20 0.54
▸ HCRTR1 O43613 1/20 0.53
▸ HCRTR2 O43614 1/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ ALDH1A1 P00352 4/20 0.52
▸ ALOX15 P16050 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ MGLL Q99685 1/20 0.52
▸ CYP2A13 Q16696 1/20 0.50
▸ GLA P06280 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ MEN1 O00255 1/20 0.46

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
SCHEMBL4906777 0.90 SMN1; SMN2 (0.54) SMN1; SMN2MAPK1HCRTR1HCRTR2KMT2A
SCHEMBL6171032 0.88 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AALDH1A1ALOX15HSD17B10
SCHEMBL2781032 0.86 SMN1; SMN2 (0.55) SMN1; SMN2MAPK1HCRTR1HCRTR2KMT2A
SCHEMBL2248724 0.85 SMN1; SMN2 (0.54) SMN1; SMN2MAPK1HCRTR1HCRTR2KMT2A
SCHEMBL221971 0.85 SMN1; SMN2 (0.56) SMN1; SMN2MAPK1HCRTR1HCRTR2KMT2A
SCHEMBL2252952 0.85 ALDH1A1 (0.61) SMN1; SMN2MAPK1HCRTR1HCRTR2KMT2A
SCHEMBL20496747 0.83 MAPK1 (0.55) SMN1; SMN2MAPK1HCRTR1HCRTR2KMT2A
SCHEMBL1421327 0.83 SMN1; SMN2 (0.55) SMN1; SMN2MAPK1HCRTR1HCRTR2KMT2A
Hydrochloric Acid SCHEMBL6596688 0.83 CYP2A13 (0.54) KMT2AALDH1A1ALOX15HSD17B10HPGD
SCHEMBL20496749 0.82 ALDH1A1 (0.64) SMN1; SMN2MAPK1HCRTR1HCRTR2KMT2A

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-0863755-B1 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 2004-12-15 — — EP disclosed
US-6265575-B1 THROMBIN INHIBITORS ELI LILLY AND COMPANY 2001-07-24 — — US disclosed
US-6251921-B1 ADMINISTERING THROMBIN INHIBITING DIAMINE COMPOUND TO MAMMAL ELI LILLY AND COMPANY 2001-06-26 — — US disclosed
US-6025382-A Antithrombotic diamines ELI LILLY AND COMPANY (US) 2000-02-15 — — US disclosed
EP-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 — — EP disclosed
EP-0863755-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1998-09-16 — — EP disclosed
WO-1997025033-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1997-07-17 — — WO disclosed
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