SCHEMBL9409028

SCHEMBL9409028

CC(C)OC(=O)C1CCN(c2ccc3c(c2[N+](=O)[O-])CCC(=O)N3)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.41
▸ TP53 P04637 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CTSB P07858 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ TSHR P16473 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ POLB P06746 1/20 0.34
▸ USP2 O75604 1/20 0.33

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
SCHEMBL8806639 0.81 ALDH1A1 (0.43) MAPTHTTTDP1ALDH1A1POLB
SCHEMBL8806809 0.64 SCN1A (0.35) MAPTHTTTSHRUSP2
SCHEMBL9408149 0.63 MAPT (0.47) MAPTTP53HTTCTSBTDP1
SCHEMBL8806234 0.63 HSP90AA1 (0.37) MAPTHTTTSHRALDH1A1USP2
SCHEMBL8805917 0.63 DRD2 (0.37) MAPTTDP1GAAALDH1A1
SCHEMBL3296949 0.59 SMN1; SMN2 (0.55) MAPTGAAALDH1A1POLB
SCHEMBL3296952 0.59 SMN1; SMN2 (0.55) MAPTGAAALDH1A1POLB
SCHEMBL3302195 0.59 SMN1; SMN2 (0.55) MAPTGAAALDH1A1POLB
SCHEMBL12559695 0.59 POLB (0.42) HTTTDP1TSHRPOLB
SCHEMBL9483715 0.59 GPR35 (0.42) MAPTTP53TSHRALDH1A1

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-6298757-A — — None — — JP disclosed
JP-H06298757-A PIPERIDINO-3,4-DIHYDROCARBOSTYRYL DERIVATIVE KISSEI PHARMACEUT CO LTD 1994-10-25 — — JP disclosed
Send feedback