SCHEMBL7100324

SCHEMBL7100324

COc1c[c]c(-c2cccc3c2N2CCNCCC2C3)cc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 0.59
HTR2A P28223 18/20 0.59
HTR2B P41595 2/20 0.40

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
SCHEMBL6715326 0.84 HTR2C (0.64) HTR2CHTR2AHTR2B
SCHEMBL6712325 0.81 HTR2C (0.64) HTR2CHTR2AHTR2B
SCHEMBL6711548 0.81 HTR2C (0.72) HTR2CHTR2AHTR2B
SCHEMBL6715429 0.80 HTR2C (0.61) HTR2CHTR2AHTR2B
SCHEMBL6711560 0.80 HTR2C (0.71) HTR2CHTR2AHTR2B
SCHEMBL6713042 0.79 HTR2C (0.57) HTR2CHTR2AHTR2B
SCHEMBL6713915 0.79 HTR2C (0.78) HTR2CHTR2AHTR2B
SCHEMBL6715619 0.79 HTR2C (0.65) HTR2CHTR2AHTR2B
SCHEMBL6713637 0.78 HTR2C (0.61) HTR2CHTR2AHTR2B
SCHEMBL6712388 0.78 HTR2C (0.58) 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