SCHEMBL7401614

SCHEMBL7401614

NCC(=O)C1(N)CCc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
CYP2C19 P33261 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42
GRM1 Q13255 1/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM1A O60341 2/20 0.41
MAOB P27338 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HCAR2 Q8TDS4 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALOX15 P16050 1/20 0.39
GRM2 Q14416 1/20 0.39
TSHR P16473 1/20 0.37
KIF11 P52732 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
SCHEMBL6275446 0.85 KDM4E (0.41) KDM4EMAPTCYP2C19TDP1ALDH1A1
SCHEMBL7452148 0.85 KDM4E (0.41) KDM4EMAPTCYP2C19TDP1ALDH1A1
SCHEMBL8522360 0.84 KDM1A (0.41) KDM4EMAPTCYP2C19TDP1ALDH1A1
SCHEMBL8522929 0.83 KDM4E (0.42) KDM4EMAPTCYP2C19TDP1ALDH1A1
SCHEMBL2465116 0.83 SIGMAR1 (0.40) KDM4EMAPTCYP2C19TDP1ALDH1A1
SCHEMBL197941 0.81 KDM4E (0.61) KDM4EMAPTCYP2C19TDP1ALDH1A1
SCHEMBL197942 0.81 KDM4E (0.61) KDM4EMAPTCYP2C19TDP1ALDH1A1
SCHEMBL29380732 0.81 KDM4E (0.61) KDM4EMAPTCYP2C19TDP1ALDH1A1
SCHEMBL197940 0.81 KDM4E (0.61) KDM4EMAPTCYP2C19TDP1ALDH1A1
SCHEMBL29677121 0.81 KDM4E (0.45) KDM4EMAPTCYP2C19TDP1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0738149-A4 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMA (IL) 1999-10-27 EP disclosed
EP-0738149-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1996-10-23 EP disclosed
WO-1996021640-A1 OPTICALLY ACTIVE AMINOINDANE DERIVATIVES AND PREPARATION THEREOF TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1996-07-18 WO disclosed
WO-1995018617-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1995-07-13 WO disclosed