SCHEMBL9499798

SCHEMBL9499798

COC(=O)c1[nH]c2ccccc2c1CCN

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.76
HTR1A P08908 1/20 0.54
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
HTR1D P28221 1/20 0.54
HTR1B P28222 1/20 0.54
HTR1F P30939 1/20 0.54
HTR7 P34969 1/20 0.54
DRD3 P35462 1/20 0.54
KDM4E B2RXH2 5/20 0.53
GAA P10253 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TUBB4A P04350 1/20 0.52
TUBB P07437 1/20 0.52
TUBA3C P0DPH7 1/20 0.52
TUBA1B P68363 1/20 0.52
TUBA4A P68366 1/20 0.52
TUBB4B P68371 1/20 0.52
TUBB3 Q13509 1/20 0.52

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
SCHEMBL5955783 0.87 HTR6 (0.58) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL1486947 0.86 HTR6 (1.00) HTR6HTR1ADRD2DRD4HTR1D
Hydrochloric Acid SCHEMBL1486945 0.85 HTR6 (0.97) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL5955805 0.84 HTR6 (0.55) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL7380594 0.84 KDM4E (0.60) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL3280964 0.82 EGFR (0.57) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL28156846 0.82 KDM4E (0.60) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL5495499 0.82 HTR6 (0.66) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL2003146 0.82 KDM4E (0.72) HTR6KDM4EALDH1A1FOLH1MCL1
SCHEMBL3276728 0.81 EGFR (0.66) HTR6HTR1ADRD2DRD4HTR1D

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-0233413-B1 3-(2-AMINOETHYL)INDOLE AND -INDOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PHARMA GmbH (DE) 1993-05-05 EP disclosed
US-4980368-A CEREBRALVASCULAR DISORDERS; ANTIHYPOXIA AGENTS; COGNITION ACTIVATORS; SENILITY BEECHAM-WUELFING GMBH & CO. KG (DE) 1990-12-25 US disclosed
EP-0233413-A2 3-(2-Aminoethyl)indole and -indoline derivatives, processes for their preparation and pharmaceutical compositions containing them SMITHKLINE BEECHAM PHARMA GmbH (DE) 1987-08-26 EP disclosed