SCHEMBL8764485

SCHEMBL8764485

CCOC(=O)[C@@H]1[C@@H]2C[C@@H](Cc3ccc(F)c(Cl)c3)C(=O)[C@@H]21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.41
GRM3 Q14832 1/20 0.41
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
RECQL P46063 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL8763820 1.00 GRM2 (0.41) GRM2GRM3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8764408 1.00 GRM2 (0.41) GRM2GRM3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8891866 0.85 KDM4E (0.45) ALDH1A1KDM4ESMN1; SMN2CA12CA1
SCHEMBL8892774 0.84 CA1 (0.48) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL8907681 0.80 ALDH1A1 (0.41) GRM2GRM3ALDH1A1SMN1; SMN2CA12
SCHEMBL8472350 0.79 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2CA12CA1
SCHEMBL8764221 0.78 ATM (0.43) ALDH1A1KDM4EL3MBTL1TSHRMEN1
SCHEMBL8471428 0.77 MAPT (0.49) GRM2GRM3ALDH1A1KDM4ECA12
SCHEMBL8764454 0.76 MDM2 (0.36) ALDH1A1KDM4ESMN1; SMN2TSHRPOLB
SCHEMBL8892095 0.73 TSHR (0.38) ALDH1A1KDM4ESMN1; SMN2TSHRMEN1

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-0774455-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1997-05-21 EP disclosed