SCHEMBL7936745

SCHEMBL7936745

NC(Cn1ncc2ccc3occc3c21)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 17/20 0.70
HTR2A P28223 16/20 0.70
HTR2B P41595 5/20 0.44
BCDIN3D Q7Z5W3 2/20 0.33

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
SCHEMBL905958 0.82 HTR2C (1.00) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL6198656 0.81 HTR2C (0.97) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL6198201 0.81 HTR2C (0.97) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL6196249 0.81 HTR2C (0.97) HTR2CHTR2AHTR2B
SCHEMBL27439441 0.80 HTR2C (0.81) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL6196728 0.79 HTR2C (0.75) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL6195890 0.79 HTR2C (0.79) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL6199692 0.78 HTR2C (0.70) HTR2CHTR2AHTR2B
SCHEMBL27412861 0.78 HTR2C (0.73) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL6196496 0.77 HTR2C (0.72) 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
US-6245796-B1 NERVOUS SYSTEM DISORDERS; SEXUAL DISORDERS; SLEEP DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-12 US disclosed
EP-0990650-A1 TRICYCLIC PYRROLE OR PYRAZOLE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2000-04-05 EP disclosed