SCHEMBL8229679

SCHEMBL8229679

COC(=O)[C@@H]1C[C@@H](OC(=O)N2CCC3C=CC=CC3C2)CN1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADAM10 O14672 4/20 0.34
▸ ERBB2 P04626 4/20 0.34
▸ MMP2 P08253 2/20 0.34
▸ HRH3 Q9Y5N1 6/20 0.32
▸ MMP1 P03956 1/20 0.31
▸ HSD11B1 P28845 3/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ CHRNB2 P17787 1/20 0.30
▸ CHRNA4 P43681 1/20 0.30
▸ BACE1 P56817 1/20 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
SCHEMBL8171231 0.77 ADAM10 (0.42) ADAM10ERBB2MMP2HRH3MMP1
SCHEMBL8190780 0.72 ADAM10 (0.51) ADAM10ERBB2MMP1PIM1
SCHEMBL8199546 0.72 ADAM10 (0.51) ADAM10ERBB2MMP1PIM1
Hydrochloric Acid SCHEMBL4406305 0.71 ADAM10 (0.50) ADAM10ERBB2MMP1PIM1
SCHEMBL2098678 0.70 ADAM10 (0.49) ADAM10ERBB2MMP1HSD11B1CYP2C9
SCHEMBL2098675 0.70 ADAM10 (0.49) ADAM10ERBB2MMP1HSD11B1CYP2C9
SCHEMBL416579 0.70 ADAM10 (0.49) ADAM10ERBB2MMP1HSD11B1CYP2C9
SCHEMBL7857753 0.70 ADAM10 (0.49) ADAM10ERBB2MMP1HSD11B1CYP2C9
SCHEMBL2098781 0.70 ADAM10 (0.49) ADAM10ERBB2MMP1HSD11B1CYP2C9
SCHEMBL9641197 0.69 CHRNB2 (0.38) CYP2C9PIM1CHRNB2CHRNA4

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
WO-2007139585-A1 CONTROLLED-RELEASE FORMULATION SCHERING CORPORATION (US) 2007-12-06 — — WO disclosed
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