SCHEMBL7477640

SCHEMBL7477640

O=C(Nc1ccc2c(c1)CCN(Cc1ncn[nH]1)C2)Oc1cc(C(F)(F)F)ccc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.39
KDR P35968 2/20 0.37
ACACB O00763 1/20 0.37
DGAT2 Q96PD7 1/20 0.37
JAK2 O60674 2/20 0.37
JAK3 P52333 2/20 0.37
PTK2 Q05397 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
APOB P04114 3/20 0.36
MTTP P55157 3/20 0.36
PRMT5 O14744 2/20 0.36
WDR77 Q9BQA1 2/20 0.36
ABCB1 P08183 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
TNF P01375 1/20 0.36
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 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
SCHEMBL6677620 0.92 APOB (0.41) TACR1KDRACACBJAK2JAK3
SCHEMBL6688287 0.85 PRMT5 (0.38) TACR1KDRACACBDGAT2MAPT
SCHEMBL7041135 0.82 SMO (0.52) KDRMAPTLMNASMN1; SMN2APOB
SCHEMBL6966580 0.80 SCN9A (0.43) TACR1KDRJAK2JAK3PTK2
SCHEMBL6973499 0.79 SMO (0.45) KDRACACBJAK2JAK3PTK2
SCHEMBL6974835 0.79 ABCB1 (0.48) ACACBMAPTLMNASMN1; SMN2APOB
SCHEMBL6967435 0.78 APOB (0.41) ACACBJAK2JAK3PTK2MAPT
SCHEMBL6974297 0.77 CACNA1G (0.51) KDRJAK2JAK3PTK2APOB
SCHEMBL6964489 0.77 SMO (0.50) APOBMTTPSRPK1
SCHEMBL6974444 0.76 KDM4E (0.44) ACACBJAK2JAK3PTK2MAPT

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-0902785-B1 PROCESSES AND INTERMEDIATES FOR PREPARING 4'-TRIFLUOROMETHYLBIPHENYL-2-CARBOXYLIC ACID 2-(2H- 1,2,4]TRIAZOL-3-YLMETHYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-YL]-AMIDE PFIZER (US) 2002-09-04 EP disclosed
EP-1192142-A1 CYCLO-IMINO DEPSIPEPTIDES AND THEIR UTILIZATION IN CONTROLLING ENDOPARASITES Bayer Aktiengesellschaft (DE) 2002-04-03 EP disclosed
WO-2000076985-A1 CYCLO-IMINO DEPSIPEPTIDES AND THEIR UTILIZATION IN CONTROLLING ENDOPARASITES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-21 WO disclosed
EP-0902785-A1 PROCESSES AND INTERMEDIATES FOR PREPARING 4'-TRIFLUOROMETHYLBIPHENYL-2-CARBOXYLIC ACID 2-(2H- 1,2,4]TRIAZOL-3-YLMETHYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-YL]-AMIDE PFIZER INC. (US) 1999-03-24 EP disclosed