SCHEMBL6937591

SCHEMBL6937591

CC(C)CCc1ccccc1NN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
ALDH1A1 P00352 4/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
SCD O00767 2/20 0.35
P2RX7 Q99572 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
DHODH Q02127 1/20 0.34
AOC3 Q16853 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 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
SCHEMBL6942396 0.85 TYR (0.42) SLC6A2SLC6A4SLC6A3ALDH1A1GAA
SCHEMBL6937909 0.84 ALDH1A1 (0.39) SLC6A2SLC6A4SLC6A3ALDH1A1GAA
SCHEMBL25883299 0.82 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL6938490 0.82 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3ALDH1A1GAA
SCHEMBL6504953 0.80 GABRA1 (0.47) SLC6A2SLC6A4SLC6A3ALDH1A1GAA
SCHEMBL10408257 0.79 CYP2C19 (0.41) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL14131005 0.79 TSHR (0.49) ALDH1A1L3MBTL1POLBSCDTAS1R3
SCHEMBL7630645 0.79 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3ALDH1A1DHODH
SCHEMBL31517195 0.79 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3ALDH1A1DHODH
SCHEMBL22600348 0.78 SLC6A3 (0.36) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT

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
EP-1272456-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2003-01-08 EP disclosed
WO-2001079157-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-10-25 WO disclosed