SCHEMBL7093682

SCHEMBL7093682

COCc1cc(OC)ccc1-c1cccc2c1N1CCNCC(C(O)c3cc(OC)ccc3-c3cccc4c3N3CCNCCC3C4)C1C2

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 0.47
HTR2A P28223 16/20 0.47
HTR2B P41595 4/20 0.39
HTR6 P50406 1/20 0.34

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
SCHEMBL6711265 0.87 HTR2C (0.58) HTR2CHTR2AHTR2B
SCHEMBL6711557 0.81 HTR2C (0.57) HTR2CHTR2AHTR2B
SCHEMBL6711219 0.80 HTR2C (0.59) HTR2CHTR2AHTR2B
SCHEMBL6712436 0.80 HTR2C (0.58) HTR2CHTR2AHTR2B
SCHEMBL6713637 0.79 HTR2C (0.61) HTR2CHTR2AHTR2B
SCHEMBL6712186 0.78 HTR2C (0.56) HTR2CHTR2AHTR2B
SCHEMBL6713042 0.77 HTR2C (0.57) HTR2CHTR2AHTR2B
SCHEMBL6713845 0.75 HTR2C (0.52) HTR2CHTR2AHTR2B
SCHEMBL6711548 0.74 HTR2C (0.72) HTR2CHTR2AHTR2B
SCHEMBL6712325 0.74 HTR2C (0.64) HTR2CHTR2AHTR2B

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-1328525-A2 2,3,4,5-TETRAHYDRO-1H-[1,4]DIAZEPINO[1,7-A]INDOLE COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2003-07-23 EP disclosed
WO-2001072752-A2 2,3,4,5-TETRAHYDRO-1H-[1,4]DIAZEPINO[1,7-a]INDOLE COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2001-10-04 WO disclosed