SCHEMBL7746062

SCHEMBL7746062

CN(C)CCNc1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.71
▸ NPSR1 Q6W5P4 1/20 0.71
▸ BCHE P06276 2/20 0.58
▸ ACHE P22303 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ KMT2A Q03164 3/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ TSHR P16473 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ MAPT P10636 5/20 0.47
▸ LMNA P02545 2/20 0.47
▸ KAT2B Q92831 3/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ HCAR3 P49019 2/20 0.46
▸ RAD52 P43351 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ POLB P06746 2/20 0.44
▸ PKM P14618 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
SCHEMBL7745736 0.89 ALDH1A1 (0.59) ALDH1A1NPSR1BCHEACHESMN1; SMN2
SCHEMBL1594797 0.84 ALDH1A1 (0.72) ALDH1A1NPSR1BCHEACHESMN1; SMN2
SCHEMBL9725410 0.84 ALDH1A1 (0.72) ALDH1A1NPSR1BCHEACHESMN1; SMN2
SCHEMBL4086159 0.84 HCAR3 (0.63) ALDH1A1NPSR1BCHEACHESMN1; SMN2
SCHEMBL17678391 0.83 ALDH1A1 (0.71) ALDH1A1NPSR1BCHEACHESMN1; SMN2
SCHEMBL9759799 0.83 ALDH1A1 (0.71) ALDH1A1NPSR1BCHEACHESMN1; SMN2
SCHEMBL7741587 0.82 MAPT (0.69) ALDH1A1NPSR1SMN1; SMN2KMT2AMEN1
SCHEMBL4060607 0.81 HCAR3 (0.52) ALDH1A1NPSR1BCHEACHESMN1; SMN2
SCHEMBL4060610 0.81 HCAR3 (0.52) ALDH1A1NPSR1BCHEACHESMN1; SMN2
SCHEMBL5017636 0.81 ALDH1A1 (0.66) ALDH1A1BCHEACHESMN1; SMN2KMT2A

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
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 — — US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 — — US disclosed
Send feedback