SCHEMBL3968316

SCHEMBL3968316

COC(=O)N[C@H]1CCCCC/C=C/[C@@H]2C[C@@]2(C(=O)O)NC(=O)[C@@H]2C[C@@H](OC(=O)N3CCc4ccccc4C3)CN2C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.48
▸ ADRA2B P18089 1/20 0.48
▸ ADRA2C P18825 1/20 0.48
▸ POLB P06746 1/20 0.33
▸ BCL2 P10415 1/20 0.33
▸ PDE4B Q07343 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CTSB P07858 1/20 0.32
▸ KEAP1 Q14145 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ RAMP1 O60894 5/20 0.30
▸ CALCRL Q16602 5/20 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
SCHEMBL3968307 1.00 ADRB3 (0.48) ADRB3ADRA2BADRA2CPOLBBCL2
SCHEMBL3968301 1.00 ADRB3 (0.48) ADRB3ADRA2BADRA2CPOLBBCL2
SCHEMBL3974770 0.95 ADRB3 (0.50) ADRB3ADRA2BADRA2CPOLBBCL2
SCHEMBL3970706 0.95 ADRB3 (0.50) ADRB3ADRA2BADRA2CPOLBBCL2
SCHEMBL3974766 0.95 ADRB3 (0.50) ADRB3ADRA2BADRA2CPOLBBCL2
SCHEMBL3965581 0.94 ADRB3 (0.46) ADRB3ADRA2BADRA2CPOLBBCL2
SCHEMBL13923955 0.94 ADRB3 (0.48) ADRB3ADRA2BADRA2CPOLBBCL2
SCHEMBL3975386 0.94 ADRB3 (0.46) ADRB3ADRA2BADRA2CPOLBBCL2
SCHEMBL3965585 0.94 ADRB3 (0.46) ADRB3ADRA2BADRA2CPOLBBCL2
SCHEMBL3975388 0.94 ADRB3 (0.46) ADRB3ADRA2BADRA2CPOLBBCL2

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
US-7601738-B2 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 2009-10-13 — — US disclosed
Send feedback