SCHEMBL9408149

SCHEMBL9408149

CCCCOC(=O)C1CCN(c2cc3c(cc2[N+](=O)[O-])NC(=O)CC3)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.47
▸ TP53 P04637 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.42
▸ CTSB P07858 1/20 0.41
▸ TDP1 Q9NUW8 3/20 0.39
▸ GPR174 Q9BXC1 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ VCAM1 P19320 1/20 0.37
▸ KDM4E B2RXH2 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
SCHEMBL8810785 0.80 GPR174 (0.40) MAPTTP53HTTALDH1A1TDP1
SCHEMBL8806549 0.78 MAPT (0.51) MAPTHTTALDH1A1TDP1GPR174
SCHEMBL25845895 0.69 MAPT (0.78) MAPTTP53HTTALDH1A1TDP1
SCHEMBL13648194 0.68 MAPT (0.64) MAPTTP53HTTALDH1A1CTSB
SCHEMBL20594914 0.68 AKR1B1 (0.52) MAPTHTTALDH1A1CTSBTDP1
SCHEMBL20522603 0.67 MAPT (0.63) MAPTTP53HTTALDH1A1CTSB
SCHEMBL13999700 0.67 MAPT (0.75) MAPTTP53HTTALDH1A1CTSB
SCHEMBL6509839 0.66 MAPT (0.62) MAPTTP53HTTALDH1A1CTSB
SCHEMBL3435055 0.66 MAPT (0.74) MAPTTP53HTTALDH1A1CTSB
SCHEMBL6529147 0.66 MAPT (0.68) MAPTTP53HTTALDH1A1CTSB

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
JP-6298756-A — — None — — JP disclosed
JP-H06298756-A PIPERIDINO-3,4-DIHYDROCARBOSTYRYL DERIVATIVE KISSEI PHARMACEUT CO LTD 1994-10-25 — — JP disclosed
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