SCHEMBL7104295

SCHEMBL7104295

N=C(N)c1ccccc1C1CC=NCC1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.32

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
SCHEMBL8106248 0.69 NOS1 (0.32)
SCHEMBL4169706 0.68 SLC18A3 (0.42) ADRA1A
SCHEMBL10509508 0.67 MAPT (0.38)
Hydrochloric Acid SCHEMBL6997190 0.66 SLC18A3 (0.41) ADRA1A
SCHEMBL22506964 0.64 HTR2C (0.35)
SCHEMBL10495281 0.63 F2 (0.55)
SCHEMBL752611 0.61 F2 (0.48)
Hydrochloric Acid SCHEMBL29008442 0.61 BLM (0.57)
Hydrochloric Acid SCHEMBL28555632 0.61 BLM (0.57)
SCHEMBL23978106 0.60 HTR2C (0.37)

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-1278732-A1 1-AROYL-PIPERIDINYL BENZAMIDINES Aventis Pharmaceuticals Inc. (US) 2003-01-29 EP disclosed
WO-2001081310-A1 1-AROYL-PIPERIDINYL BENZAMIDINES AVENTIS PHARMACEUTICALS INC. (US) 2001-11-01 WO disclosed