SCHEMBL11205350

SCHEMBL11205350

Nc1nnc(N2CCN(Cc3ccc4ccccc4n3)CC2)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.53
▸ HTR7 P34969 1/20 0.53
▸ FAAH O00519 2/20 0.47
▸ GAA P10253 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ DRD4 P21917 3/20 0.39
▸ MCHR1 Q99705 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL16826043 0.81 HTR1A (0.54) HTR1AHTR7FAAHGAAHRH3
SCHEMBL17289123 0.80 FAAH (0.65) HTR1AHTR7FAAHHRH3PTGDR2
SCHEMBL1331198 0.80 FAAH (0.65) HTR1AHTR7FAAHHRH3PTGDR2
SCHEMBL10856538 0.78 GAA (0.58) GAADRD4KDM4EALDH1A1LMNA
SCHEMBL6584608 0.75 FAAH (0.60) HTR1AHTR7FAAHHRH3DRD4
SCHEMBL11202780 0.73 POLB (0.56) HTR1AHTR7DRD4KDM4EALDH1A1
SCHEMBL11196310 0.73 KMT2A (0.52) HTR7GAAKDM4EALDH1A1LMNA
SCHEMBL23750987 0.73 FAAH (0.55) HTR1AHTR7FAAHHRH3PTGDR2
SCHEMBL11202213 0.73 P2RX7 (0.43) GAADRD4
SCHEMBL2170401 0.73 CYP3A4 (0.55) HTR1AHTR7FAAHDRD4KDM4E

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-4421753-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1983-12-20 — — US claimed
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