SCHEMBL7017803

SCHEMBL7017803

Cc1c(Cl)nc(NC[C@H]2CCCN2C2CCCCC2)c(=O)n1CC(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
TPSAB1 Q15661 10/20 0.42
F2 P00734 2/20 0.39
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
PRSS1 P07477 1/20 0.39
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
OGFRL1 Q5TC84 1/20 0.37
SIGMAR1 Q99720 4/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL7026301 0.99 TSHR (0.43) TSHRTPSAB1F2F7F3
SCHEMBL7027219 0.93 TPSAB1 (0.41) TSHRTPSAB1F2F7F3
SCHEMBL7027846 0.91 TSHR (0.42) TSHRTPSAB1F2F7F3
SCHEMBL7020326 0.88 TPSAB1 (0.43) TSHRTPSAB1F2F7F3
SCHEMBL7027708 0.88 TPSAB1 (0.43) TSHRTPSAB1F2F7F3
SCHEMBL7018545 0.86 TPSAB1 (0.43) TSHRTPSAB1F2F7F3
SCHEMBL7021757 0.86 TPSAB1 (0.42) TSHRTPSAB1F2F7F3
SCHEMBL7029085 0.86 TPSAB1 (0.43) TSHRTPSAB1F2F7F3
SCHEMBL7020466 0.86 TPSAB1 (0.43) TSHRTPSAB1F2F7F3
SCHEMBL7021799 0.85 TPSAB1 (0.43) TSHRTPSAB1F2F7F3

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
EP-0997474-B1 Antithrombotic agents PFIZER (US) 2003-10-29 EP disclosed
US-6417203-B1 HETEROCYCLIC AMIDES PFIZER INC. 2002-07-09 US disclosed
US-6180627-B1 INDOLE, INDAZOLE, BENZOTRIAZOLE AND BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2001-01-30 US disclosed
EP-0997474-A1 Antithrombotic agents PFIZER INC. (US) 2000-05-03 EP disclosed