SCHEMBL4779999

SCHEMBL4779999

O=CNCCCCc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.54
CHRM2 P08172 1/20 0.53
HRH3 Q9Y5N1 2/20 0.51
LMNA P02545 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
ALOX15 P16050 1/20 0.50
CYP1A2 P05177 4/20 0.49
CYP2C19 P33261 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
NAAA Q02083 1/20 0.46
CYP2D6 P10635 1/20 0.44
APP P05067 1/20 0.43
HRH4 Q9H3N8 1/20 0.43

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
SCHEMBL1855946 0.97 CHRM2 (0.53) HRH1CHRM2HRH3LMNATDP1
SCHEMBL349765 0.89 HRH3 (0.59) HRH1CHRM2HRH3LMNATDP1
SCHEMBL11607121 0.85 HRH1 (0.53) HRH1CHRM2HRH3LMNATDP1
SCHEMBL29263731 0.82 HRH1 (0.58) HRH1CHRM2HRH3LMNATDP1
SCHEMBL726512 0.81 HRH1 (0.76) HRH1CHRM2HRH3LMNATDP1
SCHEMBL29263644 0.81 HRH1 (0.61) HRH1CHRM2HRH3LMNATDP1
SCHEMBL4812712 0.80 HRH1 (0.55) HRH1CHRM2HRH3LMNATDP1
SCHEMBL2843489 0.79 HRH1 (0.80) HRH1CHRM2HRH3LMNATDP1
SCHEMBL4418086 0.79 HRH1 (0.80) HRH1CHRM2HRH3LMNATDP1
SCHEMBL31040594 0.79 HRH1 (0.80) HRH1CHRM2HRH3LMNATDP1

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-2008003746-A1 N-(4-PYRIDIN-2-YLBUTYL) CARBOXAMIDE DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2008-01-10 WO disclosed