SCHEMBL7487666

SCHEMBL7487666

CCN(CC)c1ccc(CN(N)C[C@H](O)[C@@H](N)Cc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.51
CSNK1E P49674 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
CNR1 P21554 4/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MITF O75030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
RAD52 P43351 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PPARG P37231 1/20 0.38

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
SCHEMBL7487658 1.00 CNR2 (0.51) CNR2CSNK1EKMT2AMEN1TSHR
Hydrochloric Acid SCHEMBL7483261 0.99 CNR2 (0.50) CNR2CSNK1EKMT2AMEN1TSHR
Hydrochloric Acid SCHEMBL7483257 0.99 CNR2 (0.50) CNR2CSNK1EKMT2AMEN1TSHR
SCHEMBL6447559 0.87 CSNK1E (0.49) CSNK1E
SCHEMBL6443817 0.82 CSNK1E (0.43) CSNK1ETDP1PPARG
Hydrochloric Acid SCHEMBL7290116 0.82 OPRD1 (0.48) CSNK1E
Hydrochloric Acid SCHEMBL6444616 0.82 CSNK1E (0.43) CSNK1EALDH1A1MAPTMAPK1PPARG
Hydrochloric Acid SCHEMBL6442992 0.82 OPRD1 (0.48) CSNK1E
SCHEMBL6709371 0.81 LTA4H (0.44) CSNK1EALDH1A1MAPK1TDP1PPARG
SCHEMBL6709369 0.81 LTA4H (0.44) CSNK1EALDH1A1MAPK1TDP1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915841-B1 ANILINOPEPTIDE DERIVATIVES NOVARTIS AG (CH) 2002-02-27 EP disclosed