SCHEMBL13923955

SCHEMBL13923955

CC(C)OC(=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 13)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.48
▸ ADRA2B P18089 1/20 0.48
▸ ADRA2C P18825 1/20 0.48
▸ DRD2 P14416 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ DPP8 Q6V1X1 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ BCL2 P10415 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
SCHEMBL3968301 0.94 ADRB3 (0.48) ADRB3ADRA2BADRA2CPOLBALDH1A1
SCHEMBL3968316 0.94 ADRB3 (0.48) ADRB3ADRA2BADRA2CPOLBALDH1A1
SCHEMBL3968307 0.94 ADRB3 (0.48) ADRB3ADRA2BADRA2CPOLBALDH1A1
SCHEMBL3970706 0.93 ADRB3 (0.50) ADRB3ADRA2BADRA2CPOLBALDH1A1
SCHEMBL3974766 0.93 ADRB3 (0.50) ADRB3ADRA2BADRA2CPOLBALDH1A1
SCHEMBL3974770 0.93 ADRB3 (0.50) ADRB3ADRA2BADRA2CPOLBALDH1A1
SCHEMBL3973321 0.93 ADRB3 (0.50) ADRB3ADRA2BADRA2CPOLBDPP8
SCHEMBL3973322 0.93 ADRB3 (0.50) ADRB3ADRA2BADRA2CPOLBDPP8
SCHEMBL3973320 0.93 ADRB3 (0.50) ADRB3ADRA2BADRA2CPOLBDPP8
SCHEMBL3965585 0.91 ADRB3 (0.46) ADRB3ADRA2BADRA2CDRD2POLB

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-7491794-B2 Macrocyclic compounds as inhibitors of viral replication INTERMUNE, INC. (US) 2009-02-17 — — US disclosed
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