SCHEMBL8611798

SCHEMBL8611798

O=C(NCCCc1ccc2c(c1)OCC=C2)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.44
MTNR1B P49286 8/20 0.44
KMT2A Q03164 1/20 0.40
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL8611672 0.74 MTNR1A (0.50) MTNR1AMTNR1B
SCHEMBL6956052 0.73 STS (0.44)
SCHEMBL6956048 0.72 STS (0.45) TSHRMAPTALDH1A1LMNA
SCHEMBL29407510 0.71 TSHR (0.65) KMT2ATSHRMAPK1ALDH1A1LMNA
SCHEMBL3378134 0.71 TSHR (0.65) KMT2ATSHRMAPK1ALDH1A1LMNA
SCHEMBL5534601 0.71 STS (0.40)
SCHEMBL28499155 0.70 MTNR1A (0.61) MTNR1AMTNR1BKMT2ATSHRMAPT
SCHEMBL8928239 0.69 KMT2A (0.65) KMT2ATSHRMAPTALDH1A1GAA
SCHEMBL28922787 0.69 STS (0.45)
SCHEMBL10114184 0.68 KMT2A (0.52) KMT2ATSHRMAPK1ALDH1A1LMNA

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-0901483-A2 BENZOFURANS AND BENZOPYRANS AS CHRONOBIOLOGICAL AGENTS GLAXO GROUP LIMITED (GB) 1999-03-17 EP disclosed
WO-1997043272-A2 BENZOFURANS AND BENZOPYRANS AS CHRONOBIOLOGICAL AGENTS GLAXO GROUP LIMITED (GB) 1997-11-20 WO disclosed