SCHEMBL9632017

SCHEMBL9632017

COc1ccc(CCCCNC(=O)C(F)(F)F)cc1S(N)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
ALK Q9UM73 1/20 0.45
CA7 P43166 1/20 0.45
PKM P14618 1/20 0.44
XDH P47989 1/20 0.43
TSHR P16473 1/20 0.43
CA12 O43570 1/20 0.43
CA5A P35218 1/20 0.43
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42

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
SCHEMBL9633827 0.97 MTNR1A (0.49) ADRA1DADRA1AADRA1BMTNR1AMTNR1B
SCHEMBL139017 0.92 CA1 (0.53) ADRA1DADRA1AADRA1BCA1CA2
SCHEMBL5073509 0.81 MTNR1A (0.56) MTNR1AMTNR1BCA1CA2CA9
SCHEMBL143837 0.81 INSR (0.48) MTNR1AMTNR1BCA1CA2CA9
SCHEMBL18159264 0.80 MTNR1A (0.50) MTNR1AMTNR1B
SCHEMBL10415138 0.77 CA2 (0.54) ADRA1DADRA1AADRA1BCA1CA2
SCHEMBL1412301 0.76 ADRA1D (0.59) ADRA1DADRA1AADRA1BPKMADRB2
SCHEMBL1412297 0.76 ADRA1D (0.59) ADRA1DADRA1AADRA1BPKMADRB2
SCHEMBL9632482 0.76 PKM (0.52) ADRA1DADRA1AADRA1BMTNR1AMTNR1B
SCHEMBL9632174 0.76 POLB (0.57)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0331943-B1 PHENOXYETHYLAMINE DERIVATIVES, PROCESS FOR PREPARING THE SAME, AND COMPOSITION FOR EXHIBITING EXCELLENT ALPHA-1-BLOCKING ACTIVITY CONTAINING THE SAME Hokuriku Pharmaceutical Co.,Ltd (JP) 1992-06-17 EP disclosed
US-4971990-A HYPOTENSIVE AGENTS, DYSUREA HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1990-11-20 US disclosed
EP-0331943-A1 Phenoxyethylamine derivatives, process for preparing the same, and composition for exhibiting excellent alpha-1-blocking activity containing the same Hokuriku Pharmaceutical Co.,Ltd (JP) 1989-09-13 EP disclosed