SCHEMBL8715593

SCHEMBL8715593

CCOc1cc2c(CCN(C=O)CC)c[nH]c2c(Br)c1F

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.35
HTR1A P08908 3/20 0.34
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
MPO P05164 2/20 0.33
SLC6A4 P31645 1/20 0.32
HTR2B P41595 1/20 0.32
HTR6 P50406 1/20 0.31
LMNA P02545 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
SCHEMBL8712426 0.81 HTR1A (0.36) HTR2AHTR1AMPO
SCHEMBL7051623 0.70 LMNA (0.31) LMNA
SCHEMBL21593329 0.63 ALDH1A1 (0.38) HTR2ALMNA
SCHEMBL30877195 0.61 HTR2A (0.61) HTR2AHTR1AMTNR1AMTNR1BMPO
SCHEMBL29206520 0.61 HTR2A (0.61) HTR2AHTR1AMTNR1AMTNR1BMPO
SCHEMBL29206367 0.61 HTR2A (0.57) HTR2AHTR1AMPOSLC6A4
SCHEMBL8715594 0.60 MEN1 (0.32) MTNR1AMTNR1BLMNA
SCHEMBL24694054 0.60 HTR2A (0.52) HTR2AHTR1AMTNR1AMTNR1BSLC6A4
SCHEMBL25748619 0.60 HTR1A (0.61) HTR2AHTR1AMTNR1AMTNR1BMPO
SCHEMBL8711894 0.60 MPO (0.53) MTNR1AMTNR1BMPO

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-5770610-A ADMINISTERING R-(+)-N-(2-METHYL-2-(5-METHOXY-6-CHLOROINDOL-3-YL)ETHYL) ACETAMIDE ELI LILLY AND COMPANY (US) 1998-06-23 US disclosed