SCHEMBL7694668

SCHEMBL7694668

Cc1c(Cl)nc(NCC2CCN(C(=O)O)C2)c(=O)n1CC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 7/20 0.47
GRIN2B Q13224 10/20 0.43
CYP2D6 P10635 4/20 0.42
CYP2C9 P11712 4/20 0.42
F2 P00734 3/20 0.42
PRSS1 P07477 2/20 0.42
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
CYP3A4 P08684 3/20 0.41

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
SCHEMBL7023919 1.00 TPSAB1 (0.47) TPSAB1GRIN2BCYP2D6CYP2C9F2
SCHEMBL7020166 0.91 TPSAB1 (0.45) TPSAB1GRIN2BCYP2D6CYP2C9
SCHEMBL8205180 0.88 TPSAB1 (0.52) TPSAB1GRIN2BCYP2D6CYP2C9F2
SCHEMBL7020326 0.83 TPSAB1 (0.43) TPSAB1F2PRSS1F7F3
SCHEMBL7027708 0.83 TPSAB1 (0.43) TPSAB1F2PRSS1F7F3
SCHEMBL7403728 0.83 TPSAB1 (0.49) TPSAB1F2PRSS1F7F3
SCHEMBL7020466 0.81 TPSAB1 (0.43) TPSAB1F2PRSS1F7F3
SCHEMBL7029085 0.81 TPSAB1 (0.43) TPSAB1F2PRSS1F7F3
SCHEMBL7018545 0.81 TPSAB1 (0.43) TPSAB1F2PRSS1F7F3
SCHEMBL7021799 0.81 TPSAB1 (0.43) TPSAB1F2PRSS1F7F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6417203-B1 HETEROCYCLIC AMIDES PFIZER INC. 2002-07-09 US disclosed