SCHEMBL6948205

SCHEMBL6948205

COc1cc(CN)ccc1CN1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
PRMT6 Q96LA8 1/20 0.51
GAA P10253 1/20 0.51
KDM4E B2RXH2 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
F2 P00734 2/20 0.49
MCHR1 Q99705 1/20 0.49
SPIN1 Q9Y657 1/20 0.47

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
SCHEMBL6225676 0.88 F2 (0.58) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL22954064 0.88 KDM4E (0.62) MEN1KMT2AALDH1A1TSHRPRMT6
SCHEMBL14614784 0.86 MEN1 (0.55) MEN1KMT2AALDH1A1TSHRGAA
Benzylamine SCHEMBL28104706 0.82 KDM4E (0.64) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL2205074 0.81 TSHR (0.59) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL6226913 0.81 MEN1 (0.50) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL3179790 0.80 TSHR (0.59) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL24732909 0.80 PRMT6 (0.56) MEN1KMT2AALDH1A1TSHRPRMT6
SCHEMBL9831262 0.80 KDM4E (0.64) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL2760407 0.80 MEN1 (0.62) MEN1KMT2AALDH1A1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019047-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2003-11-05 EP disclosed
US-6541499-B1 Antithrombotic agents ELI LILLY AND COMPANY 2003-04-01 US disclosed
EP-1019047-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2001-06-13 EP disclosed
EP-1019047-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
WO-1998048800-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed