SCHEMBL5983985

SCHEMBL5983985

COc1ccc(C)cc1N1CCN(Cc2cccc3ccoc23)CC1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR1A P08908 2/20 0.37
DRD2 P14416 2/20 0.37
HTR2B P41595 1/20 0.37
TRPC5 Q9UL62 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
MMP2 P08253 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL2641396 0.66 HTR1A (0.36) HTR1ADRD2MMP2ADAMTS5
SCHEMBL4751038 0.65 SMN1; SMN2 (0.53) MAPTMEN1KMT2ADRD2HTR2B
SCHEMBL1062412 0.64 HTR6 (0.44) KMT2AL3MBTL1ALDH1A1TP53
SCHEMBL5823362 0.64 HTR6 (0.39) KMT2AKDM4E
SCHEMBL5807018 0.64 HTR6 (0.39) KMT2AKDM4E
SCHEMBL5803080 0.62 HTR6 (0.39) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL1062224 0.60 HTR6 (0.49) KMT2AALDH1A1TP53
SCHEMBL15383940 0.59 ALDH1A1 (0.46) MEN1KMT2ADRD2ALDH1A1RAB9A
SCHEMBL595172 0.59 ALDH1A1 (0.58) MAPTMEN1KMT2AHTR2AHTR2C
SCHEMBL9228414 0.59 DRD4 (0.62) DRD2ALDH1A1KDM4E

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-1694663-A1 NOVEL BENZOFURAN DERIVATIVES, WHICH CAN BE USED IN PROPHYLAXIS OR TREATMENT OF 5-HT6 RECEPTOR-RELATED DISORDER Biovitrum Aktiebolag (SE) 2006-08-30 EP disclosed
WO-2005058858-A1 NOVEL BENZOFURAN DERIVATIVES, WHICH CAN BE USED IN PROPHYLAXIS OR TREATMENT OF 5-HT6 RECEPTOR-RELATED DISORDER BIOVITRUM AB (SE) 2005-06-30 WO disclosed