SCHEMBL9788327

SCHEMBL9788327

Cc1cc(O)cc(C)c1NC1=NCCO1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFB P00751 1/20 0.54
TAAR1 Q96RJ0 1/20 0.51
ADRA2A P08913 8/20 0.46
ADRA1A P35348 7/20 0.46
ADRA2B P18089 6/20 0.38
ADRA2C P18825 6/20 0.38
CYP3A4 P08684 3/20 0.35
ALOX15 P16050 2/20 0.35
CHRM1 P11229 1/20 0.35
MAOA P21397 1/20 0.35
TBXA2R P21731 1/20 0.35
HTR2B P41595 1/20 0.35
GMNN O75496 1/20 0.34
CYP1A2 P05177 1/20 0.34
HTR1A P08908 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
OPRK1 P41145 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL9788276 0.87 CFB (0.46) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL9788345 0.84 CFB (0.55) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL9788340 0.83 CFB (0.50) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL9788308 0.83 CFB (0.53) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL9788332 0.80 CFB (0.50) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL11440748 0.79 TAAR1 (0.75) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL7047294 0.76 CFB (0.50) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL9788311 0.76 TAAR1 (0.55) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL7048730 0.75 TAAR1 (0.60) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL9788278 0.73 CFB (0.44) CFBTAAR1ADRA2AADRA1AADRA2B

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-5066664-A Control of intraocular bleeding and pressure ALLERGAN, INC. (US) 1991-11-19 US disclosed