SCHEMBL6174157

SCHEMBL6174157

COC(=O)c1ccc(OCCN2CCCC2)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.62
KDM4E B2RXH2 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
HPGD P15428 2/20 0.57
HSD17B10 Q99714 1/20 0.57
LTA4H P09960 1/20 0.56
BCHE P06276 2/20 0.55
ACHE P22303 2/20 0.55
GAA P10253 1/20 0.55
CACNA1F O60840 1/20 0.54
CACNA1D Q01668 1/20 0.54
CACNA1S Q13698 1/20 0.54
CACNA1C Q13936 1/20 0.54
POLB P06746 2/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ASF1A Q9Y294 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL20504536 0.94 ACHE (0.56) MCHR1KDM4EMEN1KMT2AHPGD
SCHEMBL23195583 0.89 SMN1; SMN2 (0.65) MCHR1KDM4EGAALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL6170863 0.87 MCHR1 (0.62) MCHR1KDM4EMEN1KMT2AHPGD
SCHEMBL3841383 0.87 MAPK1 (0.60) MCHR1KDM4EMEN1KMT2AHPGD
SCHEMBL4267510 0.86 MCHR1 (0.60) MCHR1KDM4EMEN1KMT2AHPGD
SCHEMBL2616166 0.86 SMN1; SMN2 (0.64) MCHR1KDM4EMEN1KMT2AGAA
SCHEMBL22386750 0.84 MCHR1 (0.58) MCHR1KDM4EMEN1KMT2AHPGD
SCHEMBL3930162 0.84 SMN1; SMN2 (0.65) KDM4EHPGDGAASMN1; SMN2ALDH1A1
SCHEMBL6200574 0.83 MEN1 (0.55) MCHR1MEN1KMT2AHPGDHSD17B10
SCHEMBL7445354 0.82 ALDH1A1 (0.59) KDM4EMEN1KMT2AHPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027051-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-01-05 EP disclosed
EP-0863755-B1 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 2004-12-15 EP disclosed
EP-0993300-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-31 EP disclosed
US-6391901-B1 Thrombin inhibitors ELI LILLY AND COMPANY 2002-05-21 US disclosed
US-6284756-B1 ANTICOAGULANT ELI LILLY AND COMPANY 2001-09-04 US 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
EP-1027051-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2001-03-07 EP disclosed
EP-1027051-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-08-16 EP disclosed
EP-0993300-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-04-19 EP 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
WO-1998048798-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed
WO-1998048804-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO 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