SCHEMBL7951679

SCHEMBL7951679

COc1ccc(CNC(=O)c2cc3c(N4CCN(C)CC4)cccc3[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.53
DRD3 P35462 3/20 0.53
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 3/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HTR1A P08908 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HRH4 Q9H3N8 1/20 0.46
DRD4 P21917 2/20 0.46
ALB P02768 1/20 0.46
IL2 P60568 1/20 0.46
GFER P55789 1/20 0.46

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
SCHEMBL7951552 0.89 DRD2 (0.53) DRD2DRD3KDM4EALDH1A1MAPT
SCHEMBL7949958 0.89 DRD2 (0.47) DRD2DRD3MAPTMEN1KMT2A
SCHEMBL7951585 0.88 MAPT (0.56) DRD2DRD3KDM4EALDH1A1MAPT
SCHEMBL7949873 0.88 DRD2 (0.48) DRD2DRD3MAPTKMT2AHTR1A
SCHEMBL7951589 0.88 KMT2A (0.51) DRD2DRD3MAPTMEN1KMT2A
SCHEMBL7950986 0.86 DRD2 (0.48) DRD2DRD3ALDH1A1MAPTKMT2A
SCHEMBL7943400 0.85 CYP2C9 (0.50) DRD2DRD3MAPTMEN1KMT2A
SCHEMBL7949863 0.85 HRH4 (0.47) DRD2DRD3MAPTHTR1AHTR2A
SCHEMBL7943407 0.83 MMP9 (0.50) DRD2DRD3ALDH1A1MEN1KMT2A
SCHEMBL7951009 0.82 ALDH1A1 (0.47) DRD2DRD3KDM4EALDH1A1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6255306-B1 PSYCHOLOGICAL DISORDERS MACOR JOHN E (US) 2001-07-03 US claimed
US-6255306-B1 PSYCHOLOGICAL DISORDERS MACOR JOHN E (US) 2001-07-03 US disclosed
EP-0773942-A1 4-INDOLE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS PFIZER INC. (US) 1997-05-21 EP disclosed
WO-1996003400-A1 4-INDOLE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS PFIZER INC. (US) 1996-02-08 WO disclosed