SCHEMBL8260945

SCHEMBL8260945

O=C(COCC1C=CC(F)=CC1)NCCCCN1CC(c2nc3ccccc3[nH]2)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.37
CTSS P25774 1/20 0.37
LMNA P02545 1/20 0.36
GID4 Q8IVV7 1/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
USP30 Q70CQ3 1/20 0.34
SLC40A1 Q9NP59 1/20 0.34

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
SCHEMBL5284939 0.81 KMT2A (0.42) HTR2BCTSSLMNAGID4DRD2
SCHEMBL23191081 0.62 HTR2B (0.46) HTR2BPOLBUSP30
SCHEMBL5278638 0.62 RORC (0.42)
SCHEMBL5278640 0.62 RORC (0.42)
SCHEMBL17888847 0.61 HTR2B (0.55) HTR2BPOLB
SCHEMBL17888851 0.61 HRH1 (0.58) HTR2BPOLB
SCHEMBL6038072 0.60 POLB (0.60) CTSSLMNAPOLBALDH1A1
SCHEMBL18781842 0.60 HTR2B (0.56) HTR2BLMNAPOLB
SCHEMBL20622607 0.60 HTR2B (0.67) HTR2BPOLBUSP30
SCHEMBL19957645 0.59 PRMT5 (0.71) DRD2DRD3CYP1A2CYP2D6CYP2C19

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
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO disclosed