SCHEMBL5132477

SCHEMBL5132477

CSc1cccc2c1NC1CCNCC21

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.40
HTR2C P28335 8/20 0.40
HTR2B P41595 8/20 0.40
SLC6A2 P23975 11/20 0.38
SLC6A4 P31645 11/20 0.38
SLC6A3 Q01959 8/20 0.38
KCNH2 Q12809 1/20 0.36

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
SCHEMBL1843690 1.00 HTR2A (0.40) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL13688252 1.00 HTR2A (0.40) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL13688249 0.83 HTR2C (0.40) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL3863376 0.83 HTR2C (0.40) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL3860709 0.82 HTR1A (0.40) HTR2AHTR2CHTR2B
SCHEMBL3856531 0.82 HTR1A (0.40) HTR2AHTR2CHTR2B
SCHEMBL3860706 0.82 HTR1A (0.40) HTR2AHTR2CHTR2B
SCHEMBL3856535 0.82 HTR1A (0.40) HTR2AHTR2CHTR2B
SCHEMBL3856526 0.82 HTR1A (0.40) HTR2AHTR2CHTR2B
SCHEMBL1844188 0.81 HTR2C (0.48) HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581221-A4 SUBSTITUTED TRICYCLIC GAMMA-CARBOLINES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2008-11-26 EP disclosed
EP-1581221-A2 SUBSTITUTED TRICYCLIC GAMMA-CARBOLINES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS Bristol-Myers Squibb Company (US) 2005-10-05 EP disclosed
WO-2004056324-A2 SUBSTITUTED TRICYCLIC GAMMA-CARBOLINES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-08 WO disclosed