SCHEMBL7743293

SCHEMBL7743293

COc1ccc2occ3c2c1C(CN)CC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 1.00
HTR2A P28223 4/20 0.41
HTR2C P28335 4/20 0.41
HTR2B P41595 3/20 0.41
MTNR1A P48039 8/20 0.40
MTNR1B P49286 8/20 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
SCHEMBL7741709 0.90 HTR1A (0.81) HTR1AHTR2AHTR2CHTR2BMTNR1A
SCHEMBL7741724 0.80 HTR1A (0.67) HTR1AMTNR1AMTNR1B
SCHEMBL7740272 0.80 HTR1A (0.66) HTR1AHTR2CMTNR1AMTNR1B
SCHEMBL7741698 0.79 HTR1A (0.65) HTR1AHTR2AMTNR1AMTNR1B
SCHEMBL7743295 0.77 HTR1A (0.63) HTR1AMTNR1AMTNR1B
SCHEMBL7740264 0.77 MTNR1B (0.69) HTR1AMTNR1AMTNR1B
SCHEMBL7740269 0.77 MTNR1B (0.61) HTR1AMTNR1AMTNR1B
SCHEMBL6634512 0.75 MTNR1A (0.64) HTR1AHTR2AMTNR1AMTNR1B
SCHEMBL6636372 0.75 MTNR1B (0.66) HTR1AMTNR1AMTNR1B
SCHEMBL7743321 0.74 HTR1A (0.58) HTR1AHTR2AMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6423870-B1 ANTICOAGULANTS; CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS LES LABORATOIRES SERVIER (FR) 2002-07-23 US disclosed