SCHEMBL6676245

SCHEMBL6676245

CCN=C(N)Nc1ccc(OC)cc1CCN

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 1/20 0.49
TAAR1 Q96RJ0 2/20 0.49
ADRA1A P35348 1/20 0.49
HTR2A P28223 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 2/20 0.40
LMNA P02545 2/20 0.40
HTR1A P08908 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
HTR4 Q13639 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
ADORA2A P29274 2/20 0.40

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
Hydrochloric Acid SCHEMBL6679353 0.99 PTGIR (0.48) PTGIRTAAR1ADRA1AHTR2AMEN1
SCHEMBL6674478 0.80 ADRA1A (0.45) TAAR1ADRA1AMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL6679828 0.79 ADRA1A (0.44) TAAR1ADRA1AMEN1KMT2ALMNA
SCHEMBL6676329 0.77 SIGMAR1 (0.50) PTGIRTAAR1MAPTALDH1A1SIGMAR1
SCHEMBL13804183 0.77 TAAR1 (0.60) TAAR1ADRA1AHTR2AMEN1KMT2A
SCHEMBL6676239 0.76 ADRA1A (0.49) TAAR1ADRA1AHTR2AMEN1KMT2A
Hydrochloric Acid SCHEMBL6674894 0.76 SIGMAR1 (0.49) PTGIRTAAR1MAPTALDH1A1SIGMAR1
Hydrochloric Acid SCHEMBL6675035 0.75 ATM (0.54) PTGIRTAAR1HTR2AMEN1KMT2A
Hydrochloric Acid SCHEMBL6679352 0.75 ADRA1A (0.48) TAAR1ADRA1AHTR2AMEN1KMT2A
SCHEMBL6675654 0.74 PTGIR (0.49) PTGIRTAAR1ADRA1A

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
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP claimed