SCHEMBL6950801

SCHEMBL6950801

NC(=O)CC(c1c(Cl)cc(F)c2c1CCO2)C1(C(=O)O)CC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR4 Q13639 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32

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
SCHEMBL6948994 0.80 SLC9A1 (0.33)
SCHEMBL6950109 0.71 PARP1 (0.40) PARP1HTR3EHTR3BHTR3AHTR4
SCHEMBL29328237 0.68 EGFR (0.30)
SCHEMBL6950866 0.68 SLC9A1 (0.41)
SCHEMBL27376952 0.62 EED (0.32)
SCHEMBL6950112 0.61 HTR2A (0.40) PARP1
SCHEMBL6955883 0.59 MTNR1A (0.43)
SCHEMBL2638570 0.58 GAA (0.41) PARP1
SCHEMBL6947052 0.58 MPO (0.38) PARP1
SCHEMBL29326101 0.57 HTR2A (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901483-B1 BENZOFURANS AND BENZOPYRANS AS CHRONOBIOLOGICAL AGENTS GLAXO GROUP LTD (GB) 2003-07-09 EP claimed
US-5981572-A Benzofurans and benzopyrans as chronobiological agents GLAXO WELLCOME INC. (US) 1999-11-09 US claimed
EP-0901483-A2 BENZOFURANS AND BENZOPYRANS AS CHRONOBIOLOGICAL AGENTS GLAXO GROUP LIMITED (GB) 1999-03-17 EP claimed
WO-1997043272-A2 BENZOFURANS AND BENZOPYRANS AS CHRONOBIOLOGICAL AGENTS GLAXO GROUP LIMITED (GB) 1997-11-20 WO claimed
EP-0901483-B1 BENZOFURANS AND BENZOPYRANS AS CHRONOBIOLOGICAL AGENTS GLAXO GROUP LTD (GB) 2003-07-09 EP disclosed
US-5981572-A Benzofurans and benzopyrans as chronobiological agents GLAXO WELLCOME INC. (US) 1999-11-09 US disclosed
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