SCHEMBL4776184

SCHEMBL4776184

Cc1ccc(N2CC3C(C2)C3N(Cc2ccccc2)Cc2ccccc2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.42
DRD4 P21917 5/20 0.42
HTT P42858 3/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 4/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
THRB P10828 1/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4781178 0.87 UBE2M (0.39) POLBMAPTMEN1KMT2ACYP2C19
SCHEMBL4779787 0.85 FFAR4 (0.38) POLBMEN1KMT2ACYP2C19LMNA
SCHEMBL4321609 0.76 GRM5 (0.42) DRD2MEN1KMT2AALDH1A1
SCHEMBL4780326 0.76 CHRM4 (0.40) DRD2HTTALDH1A1SMN1; SMN2
SCHEMBL4778369 0.75 NOTUM (0.40) DRD2DRD4POLBMEN1KMT2A
SCHEMBL4780977 0.75 ALOX15 (0.38) DRD2
SCHEMBL4774338 0.75 DRD2 (0.32) DRD2HTTTDP1ALDH1A1SMN1; SMN2
SCHEMBL4778958 0.75 ADRA1D (0.48) DRD2DRD4MAPTCYP2C19ALDH1A1
SCHEMBL4779434 0.75 ADRA1D (0.48) DRD2DRD4MAPTCYP2C19ALDH1A1
SCHEMBL4779536 0.75 DRD2 (0.32) DRD2HTTTDP1ALDH1A1SMN1; SMN2

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-2008010061-A2 3-AZABICYCLO [3.1.0] HEXANE VANILLOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (US) 2008-01-24 WO disclosed