SCHEMBL1387341

SCHEMBL1387341

COc1ccc(N2CCN(Cc3coc4ccccc34)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
ALDH1A1 P00352 5/20 0.57
USP2 O75604 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KMT2A Q03164 3/20 0.54
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54
CA12 O43570 3/20 0.53
CA9 Q16790 3/20 0.53
SMO Q99835 1/20 0.53
TSHR P16473 2/20 0.52
GAA P10253 2/20 0.52
MEN1 O00255 2/20 0.52
HTT P42858 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL1387431 0.86 ALDH1A1 (0.62) MAPTALDH1A1USP2NPSR1KMT2A
SCHEMBL1387370 0.82 MAPT (0.54) MAPTALDH1A1USP2NPSR1KMT2A
SCHEMBL13772456 0.77 SIGMAR1 (0.58) ALDH1A1DRD4DRD3TSHR
SCHEMBL1750627 0.75 SIGMAR1 (0.58) MAPTALDH1A1KMT2ADRD4DRD3
SCHEMBL11923385 0.74 SIGMAR1 (0.79) MAPTALDH1A1NPSR1KMT2ADRD4
SCHEMBL8431204 0.74 ALDH1A1 (0.64) MAPTALDH1A1USP2NPSR1KMT2A
SCHEMBL15938040 0.73 HTR7 (0.74) MAPTKMT2ADRD4DRD3SMO
SCHEMBL29764208 0.73 HTR7 (0.74) MAPTKMT2ADRD4DRD3SMO
Hydrochloric Acid SCHEMBL11213408 0.73 SIGMAR1 (0.77) MAPTALDH1A1NPSR1KMT2ADRD4
SCHEMBL22113447 0.73 HTR2B (0.78) MAPTALDH1A1USP2NPSR1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-H09512542-A 1997-12-16 JP claimed
EP-0757686-A1 BENZOFURAN DERIVATIVES AS D 4? RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 1997-02-12 EP claimed
WO-1995029911-A1 BENZOFURAN DERIVATIVES AS D4 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1995-11-09 WO claimed
US-5665722-A Benzofuran derivatives as D4 receptor antagonists MERCK, SHARP & DOHME, LTD. (GB) 1997-09-09 US disclosed
EP-0757686-A1 BENZOFURAN DERIVATIVES AS D 4? RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 1997-02-12 EP disclosed
WO-1995029911-A1 BENZOFURAN DERIVATIVES AS D4 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1995-11-09 WO disclosed