SCHEMBL6640334

SCHEMBL6640334

Nc1cccc(NC(=O)N2CCc3cc(NC(=O)c4cc(C(F)(F)F)ccc4-c4ccccc4)ccc32)n1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.47
HTR2C P28335 6/20 0.47
RIPK1 Q13546 1/20 0.43
HTR2B P41595 2/20 0.43
MTTP P55157 7/20 0.41
APOB P04114 4/20 0.41
CREBBP Q92793 1/20 0.41
LMNA P02545 3/20 0.41
TP53 P04637 1/20 0.41
NOTUM Q6P988 1/20 0.41
CYP1A2 P05177 1/20 0.40
MAPT P10636 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
SCHEMBL6803526 0.91 MTTP (0.49) HTR2AHTR2CMTTPAPOBLMNA
SCHEMBL6664562 0.87 HTR2A (0.44) HTR2AHTR2CRIPK1HTR2BMTTP
SCHEMBL6665118 0.86 RIPK1 (0.43) HTR2AHTR2CRIPK1HTR2BMTTP
Hydrochloric Acid SCHEMBL6666545 0.85 RIPK1 (0.43) HTR2AHTR2CRIPK1HTR2BMTTP
SCHEMBL6667492 0.83 NOTUM (0.60) HTR2AHTR2CMTTPAPOBCREBBP
SCHEMBL6799386 0.79 SMO (0.55) HTR2AHTR2CHTR2BMTTPAPOB
SCHEMBL6802137 0.79 MTTP (0.47) MTTPAPOBCREBBPLMNAMAPT
SCHEMBL6667572 0.79 HTR2A (0.43) HTR2AHTR2CRIPK1HTR2BMTTP
SCHEMBL6667072 0.79 MTTP (0.40) HTR2AHTR2CRIPK1HTR2BMTTP
SCHEMBL6665703 0.78 CYP11B1 (0.49) HTR2AHTR2CRIPK1HTR2BMTTP

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