SCHEMBL7953556

SCHEMBL7953556

CN1CCN(c2cccc3[nH]c(C(=O)OCc4ccc(-c5ccccc5)cc4)cc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 4/20 0.45
SIGMAR1 Q99720 4/20 0.45
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
DRD1 P21728 1/20 0.42
HRH2 P25021 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR1E P28566 1/20 0.42
SLC6A4 P31645 1/20 0.42
HRH1 P35367 1/20 0.42
HTR2B P41595 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
NPC1 O15118 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
SCHEMBL8818586 0.94 TMEM97 (0.50) TMEM97SIGMAR1ALDH1A1GAATSHR
SCHEMBL7943428 0.90 MAPK1 (0.52) TMEM97SIGMAR1ALDH1A1GAATSHR
SCHEMBL7953606 0.89 OPRL1 (0.50) TMEM97SIGMAR1ALDH1A1GAATSHR
SCHEMBL7943407 0.88 MMP9 (0.50) ALDH1A1GAAHTR1AHTR1BHRH4
SCHEMBL7949893 0.87 MMP12 (0.50) TMEM97SIGMAR1HTR1AHTR1BHTR2A
SCHEMBL7949983 0.87 HTR1A (0.43) TMEM97SIGMAR1ALDH1A1GAATSHR
SCHEMBL7951610 0.85 HTR1A (0.44) ALDH1A1GAATSHRHTR1AHTR1B
SCHEMBL7943312 0.83 HRH4 (0.48) ALDH1A1GAANPC1RAB9AHRH4
SCHEMBL7953632 0.80 HRH4 (0.54) ALDH1A1HTR1AHTR1BHTR2AHTR2C
SCHEMBL31414573 0.78 TMEM97 (0.47) TMEM97SIGMAR1ALDH1A1GAAHTR1A

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