SCHEMBL8712426

SCHEMBL8712426

CCCCOc1cc2c(CCN(C=O)CC)c[nH]c2c(Cl)c1F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.36
HTR1B P28222 8/20 0.36
HTR1D P28221 7/20 0.36
HTR2A P28223 5/20 0.33
MPO P05164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL8715593 0.81 HTR2A (0.35) HTR1AHTR2AMPO
SCHEMBL7055794 0.70
SCHEMBL8711894 0.67 MPO (0.53) MPO
SCHEMBL8717491 0.65 HTR1A (0.73) HTR1AHTR1BHTR1DHTR2AMPO
SCHEMBL8712366 0.63 MPO (0.46) MPO
SCHEMBL25748617 0.61 HTR1B (0.48) HTR1AHTR1BHTR1DHTR2AKDM4E
SCHEMBL8717501 0.61 MPO (0.53) MPOKDM4ETP53CYP1A2CYP2D6
SCHEMBL25747934 0.60 HTR2A (0.54) HTR1AHTR1BHTR1DHTR2AMPO
SCHEMBL25747939 0.60 HTR1B (0.47) HTR1AHTR1BHTR1DHTR2AKDM4E
SCHEMBL30877208 0.59 HTR2A (0.61) HTR1AHTR2AMPO

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