SCHEMBL8129371

SCHEMBL8129371

Cc1ccc(-c2ccc(NC(=O)N3CCc4cc(Br)c(N5CCN(C)CC5)cc43)cc2)nn1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.63
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
HTR2C P28335 10/20 0.44
HTR2A P28223 8/20 0.44
HTR1A P08908 2/20 0.42
HTR1D P28221 2/20 0.42
HTR1B P28222 2/20 0.42
HTR2B P41595 4/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL8128490 0.89 SLC2A1 (0.66) SLC2A1NPC1RAB9AHTR2CHTR2A
SCHEMBL8122610 0.86 SLC2A1 (0.64) SLC2A1NPC1RAB9AHTR2CHTR2A
SCHEMBL8120361 0.86 SLC2A1 (0.74) SLC2A1NPC1RAB9AHTR2CHTR2A
SCHEMBL8130315 0.86 SLC2A1 (0.71) SLC2A1NPC1RAB9AHTR2CHTR2A
SCHEMBL8134765 0.85 SLC2A1 (0.64) SLC2A1NPC1RAB9AHTR2CHTR2A
SCHEMBL8131252 0.84 SLC2A1 (0.70) SLC2A1NPC1RAB9AHTR2CHTR2A
SCHEMBL8120540 0.84 SLC2A1 (0.68) SLC2A1NPC1RAB9AHTR2CHTR2A
SCHEMBL8121339 0.83 SLC2A1 (0.67) SLC2A1NPC1RAB9AHTR2CHTR2A
SCHEMBL8126725 0.82 SLC2A1 (0.68) SLC2A1NPC1RAB9AHTR2CHTR2A
SCHEMBL8142686 0.81 SLC2A1 (0.70) SLC2A1NPC1RAB9AHTR2CHTR2A

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-0975593-A1 INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2000-02-02 EP disclosed
WO-1998050358-A1 INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed