SCHEMBL10476271

SCHEMBL10476271

Clc1ccc2c(c1SCc1ccc(Br)cn1)CCNCC2

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 11/20 0.43
HTR2C P28335 10/20 0.43
HTR2A P28223 9/20 0.43
PNMT P11086 4/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ASIC3 Q9UHC3 1/20 0.31

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 SCHEMBL507113 0.99 HTR2B (0.42) HTR2BHTR2CHTR2APNMTADRA2A
SCHEMBL10228824 0.86 HTR2C (0.43) HTR2BHTR2CHTR2APNMTADRA2A
SCHEMBL10274751 0.86 GBA1 (0.31)
SCHEMBL10476292 0.84 HTR2C (0.43) HTR2BHTR2CHTR2APNMTADRA2A
Hydrochloric Acid SCHEMBL507161 0.83 HTR2C (0.42) HTR2BHTR2CHTR2APNMTADRA2A
SCHEMBL11947388 0.82 HTR2C (0.39) HTR2BHTR2CHTR2APNMTADRA2A
SCHEMBL10228891 0.81 CHRNB2 (0.39) HTR2BHTR2CHTR2APNMTADRA2A
SCHEMBL10228883 0.81 HTR2B (0.39) HTR2BHTR2CHTR2APNMTADRA2A
SCHEMBL10228880 0.81 HTR2C (0.39) HTR2BHTR2CHTR2APNMTADRA2A
SCHEMBL10228811 0.81 HTR2C (0.44) HTR2BHTR2CHTR2APNMTADRA2A

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-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US claimed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 EP claimed