SCHEMBL20831707

SCHEMBL20831707

O=c1[nH]ncc(N2CCCNCC2)c1I

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 15/20 0.57
▸ HTR2B P41595 15/20 0.57
▸ HTR1A P08908 14/20 0.57
▸ HTR6 P50406 12/20 0.57
▸ HTR3A P46098 11/20 0.57
▸ HTR1D P28221 8/20 0.54
▸ HTR2A P28223 5/20 0.54
▸ HTR1B P28222 4/20 0.54
▸ POLB P06746 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.50
▸ HTR2C P28335 1/20 0.47
▸ HTR5A P47898 2/20 0.46
▸ TIPARP Q7Z3E1 1/20 0.42
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42

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
SCHEMBL20818249 0.82 TRPC5 (0.55) HTR7HTR2BHTR1AHTR6HTR3A
SCHEMBL20817850 0.75 TRPC5 (0.58) HTR7HTR2BHTR1AHTR6HTR3A
SCHEMBL14081025 0.75 POLB (0.76) HTR7HTR2BHTR1AHTR6HTR3A
SCHEMBL25695016 0.75 HTR7 (0.54) HTR7HTR2BHTR1AHTR6HTR3A
Hydrochloric Acid SCHEMBL20818166 0.74 POLB (0.73) HTR7HTR2BHTR1AHTR6HTR3A
SCHEMBL5758664 0.68 NCF1 (0.45) HTR7HTR2BHTR1AHTR6HTR3A
SCHEMBL25616990 0.68 POLB (0.65) HTR7HTR2BHTR1AHTR6HTR3A
SCHEMBL3803829 0.67 HTR7 (0.59) HTR7HTR2BHTR1AHTR6HTR3A
Hydrochloric Acid SCHEMBL4810850 0.67 NCF1 (0.44) HTR7HTR2BHTR1AHTR6HTR3A
SCHEMBL9240435 0.66 HTR7 (0.40) HTR7HTR2BHTR1AHTR6HTR3A

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
WO-2019055966-A2 PYRIDAZINONES AND METHODS OF USE THEREOF GOLDFINCH BIO, INC. (US) 2019-03-21 — — WO disclosed
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