SCHEMBL6966874

SCHEMBL6966874

CN1CCC(CCO)C1=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.43
ACE P12821 2/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30

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
SCHEMBL4062968 0.83
SCHEMBL18068301 0.82 AR (0.31) ACEKMT2ACCNCCDK8
SCHEMBL18068300 0.82 AR (0.31) ACEKMT2ACCNCCDK8
SCHEMBL2031105 0.82 CCNC (0.33) ACECCNCCDK8
SCHEMBL11697415 0.82 AR (0.31) ACEKMT2ACCNCCDK8
SCHEMBL28030824 0.80 CCNC (0.33) CCNCCDK8
SCHEMBL6599014 0.80 CCNC (0.30) CCNCCDK8
SCHEMBL8085940 0.78 ALDH1A1 (0.36) MEN1KMT2A
SCHEMBL9280738 0.78 ACE (0.42) BRD4ACEMEN1MAPTCYP2C9
SCHEMBL24629769 0.77 KDM4E (0.37)

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-0980367-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2003-03-19 EP disclosed
US-6350774-B1 Antithrombotic agents ELI LILLY AND COMPANY 2002-02-26 US disclosed
EP-0980367-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-02-23 EP disclosed
WO-1998049161-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed
US-5475020-A Selective vasoconstrictors GLAXO GROUP LIMITED (GB) 1995-12-12 US disclosed
EP-0623128-A1 INDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 1994-11-09 EP disclosed
WO-1993014087-A1 INDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 1993-07-22 WO disclosed