SCHEMBL16825773

SCHEMBL16825773

Nc1n[nH]c(N2CCN(CCOc3ccc4ccccc4c3)CC2)n1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 10/20 0.61
▸ SLC6A4 P31645 10/20 0.61
▸ DRD3 P35462 3/20 0.55
▸ HRH3 Q9Y5N1 6/20 0.54
▸ HRH1 P35367 1/20 0.54
▸ DRD2 P14416 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ CHIT1 Q13231 1/20 0.47
▸ CHIA Q9BZP6 1/20 0.47

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
SCHEMBL16825744 0.88 CHIT1 (0.51) DRD3HRH1DRD2CHIT1CHIA
SCHEMBL16826343 0.84 LTA4H (0.64) SLC6A2SLC6A4DRD3DRD2CHIT1
SCHEMBL16825780 0.84 LMNA (0.64) SLC6A2SLC6A4HRH3DRD2
SCHEMBL16825821 0.83 CHIT1 (0.52) DRD3HRH3HRH1DRD2CHIT1
SCHEMBL16825820 0.83 CHIT1 (0.52) DRD3DRD2CHIT1CHIA
SCHEMBL16826340 0.83 CHIA (0.67) SLC6A2SLC6A4DRD3CHIT1CHIA
SCHEMBL18135548 0.83 CHIT1 (0.52) DRD3HRH3DRD2CHIT1CHIA
SCHEMBL16825681 0.83 CHIT1 (0.52) SLC6A2SLC6A4DRD3HRH3HRH1
SCHEMBL16826405 0.82 DRD2 (0.59) DRD3HRH3HRH1DRD2
SCHEMBL16825679 0.81 HTR1A (0.54) DRD3HRH1DRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3082805-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME The Institute For Drug Delivery (US) 2016-10-26 — — EP disclosed
WO-2015095701-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME THE INSTITUTE FOR DRUG DELIVERY (US) 2015-06-25 — — WO disclosed
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