SCHEMBL15948243

SCHEMBL15948243

COCCN(CCOC)c1ccc2c(c1)Sc1cc(N3CCNCC3)cc(C(F)(F)F)c1N2

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.34
CHRNA4 P43681 3/20 0.34
ADRB1 P08588 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTR1D P28221 1/20 0.31
HTR2C P28335 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
ALK Q9UM73 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
AOC3 Q16853 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
SCHEMBL15948289 0.86 CHRNB2 (0.34) CHRNB2CHRNA4ADRB1
SCHEMBL15948223 0.84 CRHR1 (0.35) SLC6A2SLC6A4MAPT
SCHEMBL15875978 0.82 ADRB1 (0.43) ADRB1HTR3EHTR3BALDH1A1HTR1D
SCHEMBL15948246 0.81 CHRNB2 (0.34) CHRNB2CHRNA4ADRB1HTR3EHTR3B
SCHEMBL15948197 0.81 CRHR1 (0.40) MAPT
SCHEMBL14057824 0.80 ABHD6 (0.31) CHRNB2CHRNA4ADRB1HTR1D
SCHEMBL12813221 0.77 IDH1 (0.31)
SCHEMBL15875878 0.76 CHRNB2 (0.37) CHRNB2CHRNA4ADRB1SLC6A2SLC6A4
SCHEMBL12813227 0.75 ACVR1 (0.32) HTR3EHTR3BALDH1A1HTR1DHTR2C
SCHEMBL15909115 0.74 TDP1 (0.33) ADRB1ALDH1A1HTR2CMAPTTHRB

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-8809317-B2 Antiviral compounds PROSETTA ANTIVIRAL INC. (US) 2014-08-19 US claimed