SCHEMBL9846679

SCHEMBL9846679

CCC1(CC)N=C(N2CCC(C)C2=O)c2ccccc2O1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.33
ATM Q13315 1/20 0.32
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
PIK3CD O00329 1/20 0.31
PER2 O15055 2/20 0.30

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
SCHEMBL9846762 0.85 OPRM1 (0.33)
SCHEMBL9846735 0.84 IDH1 (0.33) ADRA1A
SCHEMBL9846701 0.84 ATM (0.33) SIGMAR1ATMADRA1DADRA1AADRA1B
SCHEMBL9846682 0.79 CASP1 (0.30)
SCHEMBL9846748 0.79 TSHR (0.38) SIGMAR1
SCHEMBL9846720 0.69 PBRM1 (0.37)
SCHEMBL9846695 0.65 BACE1 (0.34)
SCHEMBL7783228 0.65 ALDH1A1 (0.34) ATM
SCHEMBL9846738 0.64 LMNA (0.33) ADRA1A
SCHEMBL12015718 0.63 MEN1 (0.50) SIGMAR1

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-0450487-A1 Benzoxazine derivatives, method for their preparation and their use for treating or prophylaxis of diseases HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-09 EP disclosed