SCHEMBL7021799

SCHEMBL7021799

Cc1c(Cl)nc(NC[C@H]2CCCCN2CC2CC2)c(=O)n1CC(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 10/20 0.43
TSHR P16473 1/20 0.39
F2 P00734 2/20 0.39
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
PRSS1 P07477 1/20 0.39
GPBAR1 Q8TDU6 2/20 0.37
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
SCHEMBL7029085 0.98 TPSAB1 (0.43) TPSAB1TSHRF2F7F3
SCHEMBL7020466 0.98 TPSAB1 (0.43) TPSAB1TSHRF2F7F3
SCHEMBL7018545 0.98 TPSAB1 (0.43) TPSAB1TSHRF2F7F3
SCHEMBL7021757 0.88 TPSAB1 (0.42) TPSAB1TSHRF2F7F3
SCHEMBL7024014 0.86 TPSAB1 (0.41) TPSAB1TSHRF2F7F3
SCHEMBL7026301 0.86 TSHR (0.43) TPSAB1TSHRF2F7F3
SCHEMBL7027708 0.85 TPSAB1 (0.43) TPSAB1TSHRF2F7F3
SCHEMBL7020326 0.85 TPSAB1 (0.43) TPSAB1TSHRF2F7F3
SCHEMBL8205180 0.85 TPSAB1 (0.52) TPSAB1TSHRF2F7F3
SCHEMBL7017803 0.85 TSHR (0.45) TPSAB1TSHRF2F7F3

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