SCHEMBL22798497

SCHEMBL22798497

CC(C)(C)C1(c2nc(Br)c[nH]2)CCCCN1C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
JAK3 P52333 2/20 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
SCHEMBL1984448 0.96 HCRTR1 (0.33) HCRTR1HCRTR2
SCHEMBL1984447 0.96 HCRTR1 (0.33) HCRTR1HCRTR2
SCHEMBL1914340 0.82 HCRTR1 (0.32) HCRTR1HCRTR2
SCHEMBL1980791 0.80 HCRTR1 (0.35) HCRTR1HCRTR2
SCHEMBL23247405 0.79 HCRTR1 (0.33) HCRTR1HCRTR2
SCHEMBL23247492 0.78 HCRTR1 (0.31) HCRTR1HCRTR2JAK3
SCHEMBL23247584 0.78 JAK3 (0.35) JAK3
SCHEMBL1914368 0.73 JAK3 (0.33) JAK3
SCHEMBL16766968 0.72 CDC7 (0.33) HCRTR1HCRTR2
SCHEMBL16766294 0.72 CDC7 (0.33) HCRTR1HCRTR2

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-3071203-B1 TETRAHYDROQUINOLINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS INC (US) 2020-12-23 EP disclosed