SCHEMBL13464166

SCHEMBL13464166

CC(=O)CN(C)CCc1cnc[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.53
QPCTL Q9NXS2 1/20 0.53
HRH3 Q9Y5N1 9/20 0.51
HRH4 Q9H3N8 5/20 0.51
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP3A4 P08684 1/20 0.45
GABRA1 P14867 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
GABRR1 P24046 1/20 0.45
GABRR2 P28476 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRB2 P47870 1/20 0.45
GABRA4 P48169 1/20 0.45
TBXAS1 P24557 1/20 0.44
FDPS P14324 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL24763682 0.84 TAAR1 (0.47) QPCTQPCTLHRH3HRH4ALDH1A1
SCHEMBL1641207 0.76 QPCT (0.62) QPCTQPCTLHRH3HRH4ALDH1A1
SCHEMBL1239352 0.76 HRH3 (0.76) HRH3HRH4ALDH1A1MAPTMEN1
SCHEMBL890227 0.72
SCHEMBL26262095 0.71 TBXAS1 (0.71) QPCTQPCTLHRH3HRH4TBXAS1
SCHEMBL18880433 0.71 TAAR1 (0.61) HRH3HRH4
SCHEMBL21283717 0.71 HRH4 (0.48) QPCTQPCTLHRH3HRH4ALDH1A1
SCHEMBL23863841 0.71 QPCT (0.48) QPCTQPCTLHRH3HRH4ALDH1A1
SCHEMBL18381337 0.70 HRH3 (0.54) HRH3HRH4CYP3A4TSHR
SCHEMBL18381341 0.70 TBXAS1 (0.59) QPCTQPCTLHRH3HRH4ALDH1A1

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-20100069308-A1 Surfaces containing antibacterial polymers CHORNY IIYA 2010-03-18 US disclosed