SCHEMBL7943407

SCHEMBL7943407

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.50
MMP1 P03956 2/20 0.50
MMP2 P08253 2/20 0.49
MMP12 P39900 2/20 0.49
HRH4 Q9H3N8 6/20 0.47
DRD2 P14416 4/20 0.44
DRD3 P35462 4/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GOT1 P17174 1/20 0.42
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL7949983 0.90 HTR1A (0.43) HRH4MEN1KMT2AHTR1AHTR1D
SCHEMBL8818586 0.90 TMEM97 (0.50) MMP9MMP1MMP2MMP12HRH4
SCHEMBL7943428 0.90 MAPK1 (0.52) MEN1KMT2AHTR1AHTR1DHTR1B
SCHEMBL7953606 0.89 OPRL1 (0.50) MMP9MMP1MMP2MMP12HRH4
SCHEMBL7951610 0.89 HTR1A (0.44) DRD2DRD3MEN1KMT2AHTR1A
SCHEMBL7953556 0.88 TMEM97 (0.45) MMP9MMP1MMP2MMP12HRH4
SCHEMBL7949893 0.87 MMP12 (0.50) MMP1MMP12HRH4GOT1HTR1A
SCHEMBL7951679 0.83 DRD2 (0.53) HRH4DRD2DRD3MEN1KMT2A
SCHEMBL7943312 0.83 HRH4 (0.48) HRH4MEN1KMT2AALDH1A1LMNA
SCHEMBL7953632 0.82 HRH4 (0.54) HRH4DRD2DRD3MEN1KMT2A

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 6 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
EP-0773942-A1 4-INDOLE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS PFIZER INC. (US) 1997-05-21 EP claimed
WO-1996003400-A1 4-INDOLE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS PFIZER INC. (US) 1996-02-08 WO 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