SCHEMBL4792015

SCHEMBL4792015

O=C1N=CC=[N+]1CC/C=C\c1c(Cl)ccc2c1CCNCC2

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.39
HTR2C P28335 7/20 0.39
HTR2B P41595 7/20 0.39
PNMT P11086 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 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
SCHEMBL4792019 1.00 HTR2A (0.39) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL3965632 0.70 HTR2C (0.42) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL14091682 0.70 HTR2C (0.42) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL3965627 0.70 HTR2C (0.42) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL3966291 0.69 HTR2C (0.43) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL3966285 0.69 HTR2C (0.43) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL4792018 0.69 HTR2C (0.40) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL4960457 0.66 HTR2A (0.39) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL14091675 0.66 HTR2A (0.50) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL13768681 0.64 NAMPT (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926712-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2008-06-04 EP disclosed
WO-2007028131-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 WO disclosed