SCHEMBL1822976

SCHEMBL1822976

CC[C@H](C)[C@H](Nc1ccccc1)C(=O)NCCN1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.51
LMNA P02545 2/20 0.50
TACR3 P29371 1/20 0.50
TSHR P16473 2/20 0.49
HPGD P15428 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP2C19 P33261 1/20 0.47
CNR2 P34972 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL1829839 1.00 EPHX2 (0.51) EPHX2LMNATACR3TSHRHPGD
SCHEMBL1824200 0.96 EPHX2 (0.47) EPHX2LMNATACR3TSHRHPGD
SCHEMBL12310518 0.85 HPGD (0.56) EPHX2TACR3TSHRHPGDCD274
SCHEMBL12310320 0.85 HPGD (0.56) EPHX2TACR3TSHRHPGDCD274
SCHEMBL12310309 0.82 TACR3 (0.48) LMNATACR3TSHRHPGDCD274
SCHEMBL12260234 0.81 TSHR (0.58) TSHRALDH1A1CYP2C19
SCHEMBL12310321 0.81 TSHR (0.58) TSHRALDH1A1CYP2C19
SCHEMBL19919962 0.80 TSHR (0.56) TSHRALDH1A1CYP2C19
SCHEMBL12310519 0.80 TSHR (0.56) TSHRALDH1A1CYP2C19
SCHEMBL12310322 0.80 TSHR (0.56) TSHRALDH1A1CYP2C19

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-2498782-A1 CRYSTALLINE FORMS OF NEUROTROPHIN MIMETIC COMPOUNDS AND THEIR SALTS Pharmatrophix Inc. (US) 2012-09-19 EP disclosed
WO-2011060262-A1 CRYSTALLINE FORMS OF NEUROTROPHIN MIMETIC COMPOUNDS AND THEIR SALTS PHARMATROPHIX, INC. (US) 2011-05-19 WO disclosed