SCHEMBL7629176

SCHEMBL7629176

CN1CCN(CC(=O)N2CCn3c4c(c5cc(C6CCCCC6)ccc53)CCCC42)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 1.00
KMT2A Q03164 8/20 1.00
MAPT P10636 8/20 1.00
ALDH1A1 P00352 6/20 1.00
GAA P10253 4/20 1.00
MAPK1 P28482 4/20 1.00
TDP1 Q9NUW8 4/20 1.00
NPSR1 Q6W5P4 4/20 1.00
LMNA P02545 4/20 1.00
TP53 P04637 3/20 1.00
CCR6 P51684 2/20 1.00
HTT P42858 2/20 1.00
HSD17B10 Q99714 3/20 0.77
USP2 O75604 2/20 0.77
MEN1 O00255 7/20 0.57
YAP1 P46937 1/20 0.57
TEAD4 Q15561 1/20 0.57
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
CYP1A2 P05177 1/20 0.49

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
SCHEMBL12164269 0.83 KDM4E (0.71) KDM4EKMT2AMAPTALDH1A1GAA
SCHEMBL17460912 0.82 KMT2A (0.69) KDM4EKMT2AMAPTALDH1A1GAA
SCHEMBL17584985 0.79 MAPT (0.65) KDM4EKMT2AMAPTALDH1A1GAA
SCHEMBL16724480 0.78 MAPT (0.64) KDM4EKMT2AMAPTALDH1A1GAA
SCHEMBL4152167 0.77 MAPT (0.63) KDM4EKMT2AMAPTALDH1A1GAA
Benzamide SCHEMBL16418204 0.75 MAPT (0.60) KDM4EKMT2AMAPTALDH1A1GAA
SCHEMBL15167872 0.74 MAPT (0.59) KDM4EKMT2AMAPTALDH1A1GAA
SCHEMBL4167139 0.74 MAPT (0.59) KDM4EKMT2AMAPTALDH1A1GAA
SCHEMBL16433502 0.74 MAPT (0.58) KDM4EKMT2AMAPTALDH1A1GAA
SCHEMBL16848296 0.73 KMT2A (0.81) KDM4EKMT2AMAPTALDH1A1GAA

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
US-6444434-B1 COMPOUNDS INHIBITING THE ACTIVATION OF FX TO FXA BY TF/FVIIA. THE COMPOUNDS ARE ANTICOAGULANTS. THE INVENTION ALSO RELATES TO A METHOD OF IDENTIFYING A DRUG CANDIDATE. NOVO NORDISK A/S (DK) 2002-09-03 US disclosed