SCHEMBL7949983

SCHEMBL7949983

CCOc1ccc(COC(=O)c2cc3c(N4CCN(C)CC4)cccc3[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.43
HTR1D P28221 3/20 0.43
HTR1B P28222 3/20 0.43
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HRH4 Q9H3N8 7/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL7951610 0.93 HTR1A (0.44) HTR1AHTR1DHTR1BALDH1A1TSHR
SCHEMBL7943428 0.92 MAPK1 (0.52) HTR1AHTR1DHTR1BALDH1A1TSHR
SCHEMBL7943407 0.90 MMP9 (0.50) HTR1AHTR1DHTR1BALDH1A1GAA
SCHEMBL8818586 0.88 TMEM97 (0.50) HTR1AHTR1BALDH1A1TSHRGAA
SCHEMBL7953606 0.87 OPRL1 (0.50) ALDH1A1TSHRGAAHRH4MAPT
SCHEMBL7953556 0.87 TMEM97 (0.45) HTR1AHTR1BALDH1A1TSHRGAA
SCHEMBL7943312 0.86 HRH4 (0.48) ALDH1A1GAAMEN1KMT2AMAPK1
SCHEMBL7949893 0.85 MMP12 (0.50) HTR1AHTR1DHTR1BHRH4TMEM97
SCHEMBL7953632 0.78 HRH4 (0.54) HTR1AHTR1DHTR1BALDH1A1MEN1
SCHEMBL7949958 0.77 DRD2 (0.47) HTR1AHTR1DHTR1BTSHRGAA

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