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Sugi Predict / Compounds / SCHEMBL6155692

SCHEMBL6155692

SCHEMBL6155692

CN1CC[N]C(c2cc3ccccc3[nH]2)C1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 5/20 0.42
▸ HRH3 Q9Y5N1 4/20 0.40
▸ CHRNA7 P36544 2/20 0.39
▸ KDR P35968 1/20 0.36
▸ VCP P55072 3/20 0.35
▸ AKR1C3 P42330 4/20 0.35

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
SCHEMBL6130846 0.83 HRH4 (0.43) HRH4HRH3KDR
SCHEMBL4172788 0.75 AOC3 (0.38) HRH3
SCHEMBL2036346 0.74 AOC3 (0.37) HRH3
SCHEMBL27367437 0.73 DRD2 (0.52) HRH4HRH3CHRNA7AKR1C3
SCHEMBL7203954 0.72 HRH4 (0.53) HRH4HRH3CHRNA7VCP
SCHEMBL2203029 0.71 SLC6A2 (0.41) CHRNA7
SCHEMBL4350353 0.69 HRH4 (0.45) HRH4
SCHEMBL3843079 0.69 DRD4 (0.34) HRH4
SCHEMBL10999017 0.69 HRH3 (0.44) HRH4HRH3
SCHEMBL4344619 0.69 PARP1 (0.42) —

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-1551406-A1 USE OF INDOLYL DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF ALLERGIC RHINITIS JANSSEN PHARMACEUTICA N.V. (BE) 2005-07-13 — — EP claimed
WO-2004022061-A1 USE OF INDOLYL DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT ALLERGIC RHINITIS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-03-18 — — WO claimed