SCHEMBL7528215

SCHEMBL7528215

[CH2]NCCc1ccc(O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 2/20 0.61
▸ SIGMAR1 Q99720 2/20 0.61
▸ ESR1 P03372 2/20 0.59
▸ ESR2 Q92731 2/20 0.59
▸ KDM4E B2RXH2 2/20 0.53
▸ F13A1 P00488 1/20 0.53
▸ CA2 P00918 1/20 0.52
▸ SLC6A2 P23975 3/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ HTR1A P08908 1/20 0.50
▸ ADRA2A P08913 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ HTR3A P46098 1/20 0.50
▸ BACE1 P56817 1/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ BLM P54132 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ LTA4H P09960 1/20 0.48

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
SCHEMBL7381628 0.80 TMEM97 (0.67) TMEM97SIGMAR1ESR1ESR2KDM4E
SCHEMBL1091362 0.78 TMEM97 (0.64) TMEM97SIGMAR1ESR1ESR2KDM4E
SCHEMBL7521617 0.76 GFER (0.59) CA2SLC6A2ALDH1A1HTR1AADRA2A
SCHEMBL274906 0.76 TMEM97 (1.00) TMEM97SIGMAR1ESR1ESR2KDM4E
SCHEMBL1804995 0.76 TMEM97 (0.61) TMEM97SIGMAR1ESR1ESR2KDM4E
SCHEMBL29690338 0.76 TMEM97 (0.61) TMEM97SIGMAR1ESR1ESR2KDM4E
SCHEMBL15701213 0.76 TMEM97 (0.61) TMEM97SIGMAR1ESR1ESR2KDM4E
Hydrochloric Acid SCHEMBL8576229 0.76 TMEM97 (0.61) TMEM97SIGMAR1ESR1ESR2KDM4E
SCHEMBL20831067 0.76 TMEM97 (0.61) TMEM97SIGMAR1ESR1ESR2KDM4E
SCHEMBL6247414 0.76 TAAR1 (0.61) CA2CYP2C19TAAR1L3MBTL1KMT2A

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
EP-0777680-B1 UROKINASE RECEPTOR LIGANDS CHIRON CORP (US) 2002-03-20 — — EP disclosed
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