SCHEMBL7419356

SCHEMBL7419356

COc1ccccc1NCC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.56
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
P2RX7 Q99572 3/20 0.52
GAA P10253 2/20 0.52
RECQL P46063 1/20 0.52
LMNA P02545 1/20 0.50
CNR2 P34972 3/20 0.49
SIGMAR1 Q99720 1/20 0.49
FAAH O00519 1/20 0.49
TSHR P16473 1/20 0.47
HTR1D P28221 1/20 0.46

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
Hydrochloric Acid SCHEMBL6084502 0.99 EPHX2 (0.55) EPHX2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL14503268 0.80 EPHX2 (0.67) EPHX2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL6085448 0.77 SMN1; SMN2 (0.54) EPHX2KMT2AMEN1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL6084812 0.75 P2RX7 (0.60) EPHX2KMT2AMEN1ALDH1A1P2RX7
SCHEMBL6084644 0.74 ALDH1A1 (0.52) EPHX2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL8704295 0.74 GAA (0.55) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL29557428 0.74 POLB (0.56) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL1816768 0.74 POLB (0.56) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL5123431 0.74 GAA (0.55) KMT2AMEN1ALDH1A1KDM4EGAA
Hydrochloric Acid SCHEMBL5774955 0.72 GAA (0.53) KMT2AMEN1ALDH1A1KDM4EGAA

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-1037878-A2 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2000-09-27 EP disclosed
WO-1999026927-A2 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed