SCHEMBL8025148

SCHEMBL8025148

O=C(Nc1ccc2c(c1)CCNC2)Oc1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ APOB P04114 12/20 0.48
▸ MTTP P55157 11/20 0.48
▸ ASIC3 Q9UHC3 1/20 0.46
▸ MELK Q14680 1/20 0.45
▸ JAK2 O60674 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ PTK2 Q05397 1/20 0.42
▸ SLC2A1 P11166 1/20 0.42
▸ SMO Q99835 1/20 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
SCHEMBL8208303 0.83 APOB (0.62) APOBMTTPASIC3MELKSLC2A1
SCHEMBL6969471 0.79 KEAP1 (0.44) APOBMTTP
SCHEMBL6974835 0.78 ABCB1 (0.48) APOBMTTP
SCHEMBL6975613 0.78 APOB (0.43) APOBMTTPSMO
SCHEMBL6964506 0.78 APOB (0.44) APOBMTTPSMO
SCHEMBL6964486 0.77 PLAU (0.46) APOBMTTPJAK2JAK3PTK2
SCHEMBL6974831 0.77 TMPRSS2 (0.42) APOBMTTP
Hydrochloric Acid SCHEMBL1187215 0.77 EPHX2 (0.55) ASIC3MELKSLC2A1
SCHEMBL6973499 0.76 SMO (0.45) APOBMTTPJAK2JAK3PTK2
SCHEMBL6962760 0.76 APOB (0.44) APOBMTTP

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
EP-0975598-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF 4'-TRIFLUOROMETHYL-BIPHENYL-2-CARBOXYLIC ACID (1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-YL)-AMIDE PFIZER INC. (US) 2000-02-02 — — EP disclosed
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