SCHEMBL6667572

SCHEMBL6667572

Nc1nccc(CC(=O)N2CCc3cc(NC(=O)c4cc(C(F)(F)F)ccc4-c4ccccc4)ccc32)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 1/20 0.43
RIPK1 Q13546 5/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
EIF2AK3 Q9NZJ5 4/20 0.41
SMO Q99835 1/20 0.41
EIF2AK1 Q9BQI3 2/20 0.41
NTRK1 P04629 1/20 0.40
CYP1A2 P05177 1/20 0.40
LCK P06239 1/20 0.40
YES1 P07947 1/20 0.40
RET P07949 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2D6 P10635 1/20 0.40
KIT P10721 1/20 0.40
CYP2C9 P11712 1/20 0.40
EIF2AK2 P19525 1/20 0.40

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
SCHEMBL6809825 0.92 SMO (0.50) RIPK1SMOMTTPAPOBLMNA
SCHEMBL6665118 0.90 RIPK1 (0.43) HTR2AHTR2CHTR2BRIPK1EIF2AK3
Hydrochloric Acid SCHEMBL6666545 0.89 RIPK1 (0.43) HTR2AHTR2CHTR2BRIPK1EIF2AK3
SCHEMBL6671845 0.89 CYP11B1 (0.43) HTR2AHTR2CRIPK1CYP11B1CYP11B2
SCHEMBL6664848 0.89 HTR2A (0.53) HTR2AHTR2CHTR2BRIPK1EIF2AK3
SCHEMBL6669306 0.88 HTR2A (0.40) HTR2AHTR2CHTR2BRIPK1EIF2AK3
SCHEMBL6669273 0.87 CYP11B1 (0.44) RIPK1CYP11B1CYP11B2EIF2AK3EIF2AK1
SCHEMBL6665703 0.86 CYP11B1 (0.49) HTR2AHTR2CHTR2BRIPK1CYP11B1
SCHEMBL6663855 0.85 SRPK1 (0.43) HTR2AHTR2CHTR2BRIPK1SMO
SCHEMBL6666805 0.84 CASP3 (0.43) HTR2AHTR2CHTR2BMTTPAPOB

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