SCHEMBL2789934

SCHEMBL2789934

COCCCn1c(C2CCCN(C(=O)C[C@H](N)Cc3ccc(-c4ccc(O)nc4)cc3)C2)c(C(F)(F)F)c2c(I)cccc21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.34
DPP8 Q6V1X1 2/20 0.31
SCN9A Q15858 4/20 0.31
DPP9 Q86TI2 1/20 0.31
RORC P51449 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 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
SCHEMBL2790575 0.90 DPP4 (0.37) DPP4DPP8SCN9ADPP9ALDH1A1
SCHEMBL2792006 0.87 DPP4 (0.34) DPP4DPP8SCN9ADPP9ALDH1A1
SCHEMBL2788438 0.86 CFD (0.33) DPP4DPP8SCN9ADPP9ALDH1A1
SCHEMBL2789066 0.84 SCN9A (0.35) DPP4SCN9AALDH1A1TSHRKMT2A
SCHEMBL2816909 0.83 PROKR1 (0.42) DPP4ALDH1A1TSHRKMT2A
SCHEMBL2818318 0.83 PROKR1 (0.42) DPP4ALDH1A1TSHRKMT2A
SCHEMBL2791830 0.83 PROKR1 (0.42) DPP4ALDH1A1TSHRKMT2A
SCHEMBL742009 0.80 CFD (0.35) DPP4DPP8DPP9ALDH1A1TSHR
SCHEMBL742008 0.80 CFD (0.35) DPP4DPP8DPP9ALDH1A1TSHR
SCHEMBL2792440 0.80 CNR2 (0.36) DPP4DPP8DPP9ALDH1A1TSHR

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
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed