SCHEMBL8344752

SCHEMBL8344752

C[C@@]12CC[C@]1(C)CC(=O)C2

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 2/20 0.32
CYP2C9 P11712 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL14016355 0.86 SMN1; SMN2 (0.38) SMN1; SMN2LMNAKDM4ECYP2C19MAPT
SCHEMBL2706623 0.86 SMN1; SMN2 (0.38) SMN1; SMN2LMNAKDM4ECYP2C19MAPT
SCHEMBL9754962 0.73 MAPT (0.36) LMNACYP2C9KDM4ECYP2C19MAPT
SCHEMBL8540868 0.73 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL4859696 0.72 KDM4E (0.39) SMN1; SMN2LMNAKDM4ECYP2C19MAPT
SCHEMBL2691041 0.72
SCHEMBL11837084 0.71 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL38953 0.71 SMN1; SMN2 (0.56) SMN1; SMN2LMNAKDM4ECYP2C19
SCHEMBL19261516 0.69 KDM4E (0.39) LMNAKDM4ECYP2C19MAPT
Water SCHEMBL7733637 0.69 SMN1; SMN2 (0.54) SMN1; SMN2LMNAKDM4ECYP2C19

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-1379494-B1 FUSED BICYCLIC OR TRICYCLIC AMINO ACIDS WARNER LAMBERT CO (US) 2010-03-10 EP disclosed
WO-2004016260-A1 THERAPEUTIC USE OF FUSED BICYCLIC OR TRICYCLIC AMINO ACIDS PFIZER LIMITED (GB) 2004-02-26 WO disclosed