SCHEMBL7218145

SCHEMBL7218145

CC(C)(C)OC(=O)NCC(O)c1ccc(F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
SERPINE1 P05121 1/20 0.42
LMNA P02545 3/20 0.40
HIF1A Q16665 3/20 0.40
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 1/20 0.40
AAK1 Q2M2I8 2/20 0.40
APP P05067 1/20 0.40
ADRB2 P07550 4/20 0.40
SYK P43405 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
KDM4E B2RXH2 4/20 0.39
TDP1 Q9NUW8 4/20 0.39
MAPT P10636 3/20 0.39
BLM P54132 3/20 0.39

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
SCHEMBL12497491 0.88 FAAH (0.43) ADRB1ADRB3ADRA2AADRA2BADRA2C
SCHEMBL31410591 0.87 MEN1 (0.43) AAK1APPCES2CES1TDP1
SCHEMBL15686269 0.85 AAK1 (0.42) SERPINE1AAK1APPSYKGAA
SCHEMBL29483424 0.85 AAK1 (0.42) SERPINE1AAK1APPSYKGAA
SCHEMBL16363856 0.85 CTSS (0.45) ADRB1ADRB3SERPINE1LMNAADRB2
SCHEMBL2434610 0.85 CTSS (0.45) ADRB1ADRB3SERPINE1LMNAADRB2
SCHEMBL19791967 0.84 APP (0.41) SERPINE1AAK1APPSYKGAA
SCHEMBL10882684 0.82 MAPT (0.56) ADRB1ADRB3ADRA2AADRA2BADRA2C
SCHEMBL3657534 0.82 GAA (0.48) LMNAALDH1A1SYKMAPTGAA
SCHEMBL30524647 0.81 F2R (0.43) ADRB1SERPINE1LMNAHIF1ACYP3A4

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
US-6620815-B1 Selective antagonists for human alpha 1A receptors; benign prostatic hyperplasia, impotency, cardiac arrhythmia treatment; anticholesterol agents; intraocular pressure reduction SYNAPTIC PHARMACEUTICAL CORPORATION 2003-09-16 US disclosed
US-6159990-A Oxazolidinones as α1A receptor antagonists SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-12-12 US disclosed