SCHEMBL8717743

SCHEMBL8717743

CCC(=O)NCCc1cn(CC)c2ccc(OC)cc12

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.62
MTNR1B P49286 11/20 0.62
HTR6 P50406 1/20 0.61
NQO2 P16083 1/20 0.61
HDAC3 O15379 3/20 0.58
HDAC6 Q9UBN7 3/20 0.58
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57

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
SCHEMBL8717163 0.91 MTNR1A (0.74) MTNR1AMTNR1BHTR6NQO2HDAC3
SCHEMBL8712203 0.89 MTNR1A (0.61) MTNR1AMTNR1BNQO2
SCHEMBL6938945 0.84 MTNR1A (0.58) MTNR1AMTNR1BNQO2
SCHEMBL25028279 0.83 HTR6 (0.67) MTNR1AMTNR1BHTR6NQO2HDAC3
SCHEMBL8717495 0.82 HTR6 (0.62) MTNR1AMTNR1BHTR6NQO2HDAC3
SCHEMBL20307266 0.82 HDAC3 (0.59) MTNR1AMTNR1BNQO2HDAC3HDAC6
SCHEMBL31414219 0.80 MTNR1A (0.58) MTNR1AMTNR1BNQO2HDAC3HDAC6
SCHEMBL23950141 0.77 MTNR1A (0.69) MTNR1AMTNR1BNQO2HDAC3HDAC6
SCHEMBL16068348 0.77 HDAC3 (0.73) MTNR1AMTNR1BNQO2HDAC3HDAC6
SCHEMBL16068372 0.76 HDAC3 (0.68) MTNR1AMTNR1BHTR6NQO2HDAC3

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