SCHEMBL8711894

SCHEMBL8711894

CCCCOc1cc2c(CCCC(=O)NCC)c[nH]c2c(F)c1F

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.53
MTNR1A P48039 6/20 0.42
MTNR1B P49286 4/20 0.42
CNR2 P34972 6/20 0.40
CNR1 P21554 3/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
TRPV1 Q8NER1 2/20 0.39

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
SCHEMBL8717501 0.84 MPO (0.53) MPOMTNR1AMTNR1BHPGDTSHR
SCHEMBL8712366 0.83 MPO (0.46) MPOMTNR1AMTNR1BCNR2CNR1
SCHEMBL8711714 0.75 MPO (0.51) MPOMTNR1AMTNR1BHPGD
SCHEMBL8715083 0.74 KDM4E (0.53) MPOMTNR1AMTNR1BHPGD
SCHEMBL8712074 0.72 MPO (0.47) MPOMTNR1AMTNR1BHPGDTRPV1
SCHEMBL7055582 0.70 MTNR1A (0.39) MTNR1AMTNR1BHPGD
SCHEMBL8717169 0.69 MTNR1A (0.65) MPOMTNR1AMTNR1BHPGDTRPV1
SCHEMBL8712198 0.69 MPO (0.65) MPOMTNR1AMTNR1BHPGDTRPV1
SCHEMBL8717161 0.68 MTNR1A (0.76) MPOMTNR1AMTNR1BHPGD
SCHEMBL24693005 0.67 MPO (0.42) MPO

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