SCHEMBL8779260

SCHEMBL8779260

C[C@H](N)C(=O)NC(=O)Oc1nccc(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
TACR1 P25103 2/20 0.36
ADAM17 P78536 1/20 0.35
MRGPRX4 Q96LA9 2/20 0.35
PSEN1 P49768 5/20 0.35
PSEN2 P49810 5/20 0.35
APH1B Q8WW43 5/20 0.35
NCSTN Q92542 5/20 0.35
APH1A Q96BI3 5/20 0.35
PSENEN Q9NZ42 5/20 0.35
CYP2D6 P10635 3/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
SCN9A Q15858 3/20 0.35
PPIA P62937 1/20 0.35
PTGER1 P34995 1/20 0.35

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
SCHEMBL8779316 0.92 MME (0.39) MMEACECPA1ACE2PTPN2
SCHEMBL8779312 0.92 L3MBTL1 (0.44) MRGPRX4PTPN1PPIAALDH1A1GAA
SCHEMBL8779187 0.85 MRGPRX4 (0.37) MMEACECPA1ACE2TACR1
SCHEMBL8779134 0.85 CARM1 (0.38) ADAM17PTGER1ALDH1A1L3MBTL1
SCHEMBL8779232 0.85 GSK3B (0.39) ALDH1A1
SCHEMBL8884327 0.84 MME (0.38) MMEACECPA1ACE2TACR1
SCHEMBL8779153 0.84 CARM1 (0.40) MMEACECPA1ACE2ALDH1A1
SCHEMBL8779198 0.84 LTA4H (0.46) MMEACECPA1ACE2ALDH1A1
SCHEMBL8779265 0.84 TRPV1 (0.38) ADAM17MRGPRX4
SCHEMBL8779192 0.82 KDM4E (0.39) MRGPRX4CYP2D6ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661269-B1 Substituted heterocyclic carboxylic acid amides, their preparation and their use as medicaments HOECHST AG (DE) 1997-03-26 EP disclosed
EP-0661269-A1 Substituted heterocyclic carboxylic acid amides, their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-07-05 EP disclosed