SCHEMBL7417534

SCHEMBL7417534

NCCC[C@@H](O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.68
HTR2A P28223 2/20 0.68
RIPK1 Q13546 1/20 0.53
LMNA P02545 1/20 0.52
AOC3 Q16853 5/20 0.52
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TAAR1 Q96RJ0 1/20 0.46
BCAT2 O15382 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45

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
SCHEMBL4281797 1.00 HRH1 (0.68) HRH1HTR2ARIPK1LMNAAOC3
Hydrochloric Acid SCHEMBL326015 0.98 HRH1 (0.65) HRH1HTR2ARIPK1LMNAAOC3
SCHEMBL7373079 0.93 HRH1 (0.59) HRH1HTR2ARIPK1LMNAAOC3
SCHEMBL3179795 0.88 HRH1 (0.62) HRH1HTR2ARIPK1LMNAAOC3
SCHEMBL42066 0.88 HRH1 (0.62) HRH1HTR2ARIPK1LMNAAOC3
SCHEMBL232834 0.88 HRH1 (0.62) HRH1HTR2ARIPK1LMNAAOC3
SCHEMBL27928248 0.86 HRH1 (0.60) HRH1HTR2ARIPK1LMNAAOC3
Hydrochloric Acid SCHEMBL4374172 0.86 HRH1 (0.60) HRH1HTR2ARIPK1LMNAAOC3
Hydrochloric Acid SCHEMBL16032107 0.86 HRH1 (0.60) HRH1HTR2ARIPK1LMNAAOC3
Bromide SCHEMBL28648396 0.86 HRH1 (0.60) HRH1HTR2ARIPK1LMNAAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0666842-A1 HYDROXYETHYLAMINO SULFAMIC ACID DERIVATIVES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-08-16 EP disclosed
WO-1993023368-A1 UREA-CONTAINING HYDROXYETHYLAMINE COMPOUNDS AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1993-11-25 WO disclosed