SCHEMBL8717495

SCHEMBL8717495

CCn1cc(CCNC=O)c2cc(OC)ccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.62
MTNR1A P48039 4/20 0.52
MTNR1B P49286 4/20 0.52
NQO2 P16083 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
RAB9A P51151 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HDAC3 O15379 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
PTGER4 P35408 1/20 0.47
ADRB2 P07550 3/20 0.45

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
SCHEMBL25028279 0.86 HTR6 (0.67) HTR6MTNR1AMTNR1BNQO2KDM4E
SCHEMBL8717743 0.82 MTNR1A (0.62) HTR6MTNR1AMTNR1BNQO2HDAC3
SCHEMBL8717163 0.82 MTNR1A (0.74) HTR6MTNR1AMTNR1BNQO2KDM4E
SCHEMBL6949412 0.82 MTNR1A (0.49) HTR6MTNR1AMTNR1BNQO2HDAC3
SCHEMBL24878202 0.77 HTR6 (1.00) HTR6
SCHEMBL25418921 0.75 HTR6 (0.70) HTR6MTNR1AMTNR1BNQO2HDAC3
SCHEMBL1785990 0.75 BCHE (0.57) HTR6KDM4EALDH1A1HPGDTSHR
SCHEMBL24878072 0.73 HTR6 (0.57) HTR6MTNR1AMTNR1BNQO2HDAC3
SCHEMBL9492326 0.72 MTNR1A (0.67) MTNR1AMTNR1BNQO2
SCHEMBL6506680 0.72 ADRA1A (0.57) MTNR1AMTNR1BHSD17B10

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