SCHEMBL9044942

SCHEMBL9044942

N#CC1=c2ccc3c(c2N=C1c1ccccc1)C=CN=3

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 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
SCHEMBL29246278 0.64
SCHEMBL11985519 0.54
SCHEMBL10975623 0.54 ALDH1A1 (0.42) NPSR1
SCHEMBL576916 0.53 ALDH1A1 (0.47)
SCHEMBL12997586 0.49 ALDH1A1 (0.47)
Biphenyl SCHEMBL20530383 0.48 ALDH1A1 (0.64)
Biphenyl SCHEMBL27604303 0.48 ALDH1A1 (0.64)
Biphenyl SCHEMBL28489818 0.48 ALDH1A1 (0.53) NPSR1
SCHEMBL237236 0.48 ALDH1A1 (0.44)
Biphenyl SCHEMBL20271004 0.48 ALDH1A1 (0.53) NPSR1

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-0743946-A1 5HT2B RECEPTOR ANTAGONISTS CONDENSED INDOLES SMITHKLINE BEECHAM PLC (GB) 1996-11-27 EP disclosed
WO-1995021844-A1 5HT2B RECEPTOR ANTAGONISTS CONDENSED INDOLES SMITHKLINE BEECHAM PLC (GB) 1995-08-17 WO disclosed