SCHEMBL7816668

SCHEMBL7816668

COc1cc(CC2NCCc3c2[nH]c2ccc(C)cc32)cc(N)c1OC

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.75
CHRM4 P08173 3/20 0.56
DRD2 P14416 3/20 0.56
HTR7 P34969 3/20 0.56
HTR2A P28223 2/20 0.48
HTR2C P28335 1/20 0.48

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
Hydrochloric Acid SCHEMBL8200961 0.99 HTR2B (0.77) HTR2BCHRM4DRD2HTR7HTR2A
SCHEMBL8659369 0.93 HTR2B (0.83) HTR2BCHRM4DRD2HTR7HTR2A
Hydrochloric Acid SCHEMBL7817705 0.92 HTR2B (0.85) HTR2BCHRM4DRD2HTR7HTR2A
SCHEMBL7817554 0.89 HTR2B (0.77) HTR2BCHRM4DRD2HTR7HTR2A
SCHEMBL11043054 0.87 HTR2B (0.98) HTR2BCHRM4DRD2HTR7HTR2A
SCHEMBL29462336 0.87 HTR2B (0.98) HTR2BCHRM4DRD2HTR7HTR2A
SCHEMBL9391684 0.87 HTR2B (0.98) HTR2BCHRM4DRD2HTR7HTR2A
Hydrochloric Acid SCHEMBL29727825 0.86 HTR2B (1.00) HTR2BCHRM4DRD2HTR7HTR2A
Hydrochloric Acid SCHEMBL7828661 0.86 HTR2B (1.00) HTR2BCHRM4DRD2HTR7HTR2A
SCHEMBL7819788 0.85 HTR2B (0.70) HTR2BCHRM4DRD2HTR7HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749313-A4 METHOD FOR TREATING 5HT 2B RECEPTOR RELATED CONDITIONS LILLY CO ELI (US) 2001-10-24 EP disclosed
EP-0749313-A1 METHOD FOR TREATING 5HT 2B RECEPTOR RELATED CONDITIONS ELI LILLY AND COMPANY (US) 1996-12-27 EP disclosed
WO-1995024200-A1 METHOD FOR TREATING 5HT2B RECEPTOR RELATED CONDITIONS ELI LILLY AND COMPANY (US) 1995-09-14 WO disclosed
WO-1994023720-A1 TETRAHYDRO-BETA-CARBOLINES ELI LILLY AND COMPANY (US) 1994-10-27 WO disclosed