SCHEMBL7369557

SCHEMBL7369557

CC(=O)n1c(=O)ccc2cc(N3CCNCC3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.49
HTR3B O95264 2/20 0.49
HTR3A P46098 2/20 0.49
HTR3D Q70Z44 2/20 0.49
HTR3C Q8WXA8 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
HTR5A P47898 1/20 0.49
HTR1A P08908 2/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
ADRB1 P08588 7/20 0.43
ABL1 P00519 1/20 0.42
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR6 P50406 4/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 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
SCHEMBL4977907 0.73 HTR3E (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
Trifluoroacetic Acid SCHEMBL30355129 0.70 HTR3E (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
Trifluoroacetic Acid SCHEMBL30355125 0.70 HTR3E (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL12006727 0.70 HTR3E (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL30493318 0.69 HTR3E (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1919818 0.68 KMT2A (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15534306 0.67 HTR3A (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3138664 0.67 HTR3A (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL30870394 0.67 HTR3A (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6568800 0.67 CA12 (0.55) ALDH1A1TSHRHSD17B10TP53CYP1A2

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-4514401-A CARDIOTONICS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-04-30 US disclosed