SCHEMBL9688412

SCHEMBL9688412

O=CNCCc1c2n(c3ccccc13)C(=O)CCC2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
ALB P02768 1/20 0.33
MTNR1A P48039 4/20 0.33
MTNR1B P49286 4/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PER2 O15055 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL10379104 0.84 SIGMAR1 (0.44) BCHEACHEALB
Hydrochloric Acid SCHEMBL10379123 0.83 SIGMAR1 (0.43) BCHEACHEALB
SCHEMBL10378827 0.82 KAT2B (0.36) BCHEACHEALBMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL10379394 0.82 GAA (0.42) BCHEACHEALBMEN1KMT2A
SCHEMBL10377698 0.81 TAAR1 (0.40) MEN1KMT2APER2ALDH1A1
SCHEMBL9688263 0.80 IL1R1 (0.47) BCHEACHEALBHDAC1HDAC6
SCHEMBL10377740 0.80 ESRRA (0.40) BCHEMTNR1AMTNR1BALDH1A1
SCHEMBL10377850 0.79 HTR6 (0.40) BCHEACHEALBHDAC1HDAC6
SCHEMBL10377858 0.79 HDAC1 (0.32) BCHEACHEALBMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL10379064 0.79 ESRRA (0.39) BCHEMTNR1AMTNR1BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0279125-B1 TETRAHYDROPYRIDO(1,2-A)INDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM - WUELFING GmbH & Co. KG (DE) 1992-04-29 EP disclosed
US-4968699-A CENTRAL NERVOUS SYSTEM; ANTIISCHEMIC AND ANTIHYPOXIC AGENTS; ACTIVE AGAINST CEREBRAL OXYGEN DEFICIENCY BEECHAM-WUELFING GMBH & CO. (DE) 1990-11-06 US disclosed
EP-0279125-A1 Tetrahydropyrido(1,2-a)indole derivatives, process for their preparation and pharmaceutical compositions containing them BEECHAM - WUELFING GmbH & Co. KG (DE) 1988-08-24 EP disclosed