SCHEMBL28865673

SCHEMBL28865673

CCCc1ccccn1.CCc1cnc(C)c(CC)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
HRH3 Q9Y5N1 3/20 0.41
HRH1 P35367 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ALOX15 P16050 1/20 0.40
HRH4 Q9H3N8 2/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
SYK P43405 1/20 0.37
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 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
SCHEMBL16548309 0.81 NOS3 (0.36) CYP1A2HSP90AA1
SCHEMBL7210742 0.79 HRH1 (0.55) USP2HRH3HRH1LMNAALDH1A1
SCHEMBL293166 0.79 MAPKAPK2 (0.34)
SCHEMBL29419867 0.79 MAPKAPK2 (0.34)
SCHEMBL29583126 0.78
SCHEMBL10527 0.78
Bromide SCHEMBL14801933 0.76 HRH1 (0.59) USP2HRH3HRH1LMNAALDH1A1
Ammonia Solution, Strong SCHEMBL1509120 0.76 HRH1 (0.59) USP2HRH3HRH1LMNAALDH1A1
SCHEMBL11564094 0.76 HRH1 (0.59) USP2HRH3HRH1LMNAALDH1A1
Iodide SCHEMBL22551708 0.76 HRH1 (0.59) USP2HRH3HRH1LMNAALDH1A1

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
CN-108601958-A Pro-perfume compositions 爱客多有限公司 2018-09-28 CN disclosed