SCHEMBL6665112

SCHEMBL6665112

O=C(Nc1ccc2c(c1)CCN2C(=O)Cc1ccccn1)c1cc(C(F)(F)F)c(Cl)cc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.46
HTR2A P28223 10/20 0.46
HTR2B P41595 9/20 0.46
EIF2AK3 Q9NZJ5 1/20 0.43
GRM4 Q14833 1/20 0.43
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SMO Q99835 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 2/20 0.41
NPY2R P49146 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
SCHEMBL6666452 0.91 HTR2A (0.44) HTR2CHTR2AHTR2BEIF2AK3TP53
SCHEMBL6665020 0.89 HTR2A (0.44) HTR2CHTR2AHTR2BEIF2AK3TP53
SCHEMBL6667006 0.88 HTR2C (0.49) HTR2CHTR2AHTR2BEIF2AK3MAPT
SCHEMBL6668663 0.88 HTR2C (0.47) HTR2CHTR2AHTR2BEIF2AK3TP53
SCHEMBL6666719 0.87 HTR2C (0.47) HTR2CHTR2AHTR2BEIF2AK3TP53
SCHEMBL6664848 0.87 HTR2A (0.53) HTR2CHTR2AHTR2BEIF2AK3SMO
SCHEMBL6664668 0.87 HTR2C (0.49) HTR2CHTR2AHTR2BEIF2AK3MAPT
SCHEMBL6693237 0.86 HTR2C (0.46) HTR2CHTR2AHTR2BEIF2AK3TP53
SCHEMBL6668816 0.86 EIF2AK3 (0.45) HTR2CHTR2AHTR2BEIF2AK3GRM4
SCHEMBL6665469 0.85 EIF2AK3 (0.45) HTR2CHTR2AHTR2BEIF2AK3GRM4

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-1383760-A1 BIARYLCARBOXAMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-28 EP disclosed
WO-2002090347-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 WO disclosed