SCHEMBL6853025

SCHEMBL6853025

CC(C)N(Cc1ccccc1)C(CCCN)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.47
HTR2A P28223 2/20 0.47
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
PRMT8 Q9NR22 1/20 0.40
TAAR1 Q96RJ0 2/20 0.37
MAOA P21397 1/20 0.37
AOC3 Q16853 1/20 0.37
TSHR P16473 1/20 0.36
NR3C1 P04150 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRK1 P41145 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL8006413 0.81 CARM1 (0.42) HRH1HTR2ACARM1PRMT6PRMT8
SCHEMBL14276380 0.77 TSHR (0.45) HRH1HTR2AAOC3TSHRNR3C1
SCHEMBL24176562 0.77 TSHR (0.45) HRH1HTR2AAOC3TSHRNR3C1
SCHEMBL24176560 0.77 TSHR (0.45) HRH1HTR2AAOC3TSHRNR3C1
SCHEMBL1443955 0.75 HRH1 (0.59) HRH1HTR2ATAAR1AOC3
SCHEMBL608453 0.74 TSHR (0.54) HTR2ACARM1PRMT6PRMT8TAAR1
Hydrochloric Acid SCHEMBL27658035 0.72 TSHR (0.52) HTR2ACARM1PRMT6PRMT8MAOA
SCHEMBL14008625 0.71 ADRA2B (0.40) HRH1HTR2AAOC3TSHRNR3C1
SCHEMBL16461564 0.70 CARM1 (0.43) HRH1HTR2ACARM1PRMT6PRMT8
SCHEMBL25047097 0.70 BCHE (0.41) HRH1HTR2ATSHRMEN1KMT2A

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
EP-0959975-B1 NOVEL AFFINITY LIGANDS AND THEIR USE NOVO NORDISK AS (DK) 2004-12-29 EP disclosed
US-6117996-A COMPLEXING; SEPARATION; PURIFICATION OF PROTEINS NOVO NORDISK A/S (DK) 2000-09-12 US disclosed