SCHEMBL8006413

SCHEMBL8006413

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
HTR2A P28223 2/20 0.42
HRH1 P35367 1/20 0.42
SLC6A2 P23975 3/20 0.39
MAOA P21397 2/20 0.39
TAAR1 Q96RJ0 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
AOC3 Q16853 1/20 0.39
CYP2A6 P11509 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38

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
SCHEMBL6853025 0.81 HRH1 (0.47) CARM1PRMT6PRMT8HTR2AHRH1
SCHEMBL608453 0.76 TSHR (0.54) CARM1PRMT6PRMT8HTR2ASLC6A2
Hydrochloric Acid SCHEMBL27658035 0.74 TSHR (0.52) CARM1PRMT6PRMT8HTR2ASLC6A2
SCHEMBL16390836 0.74 CSNK1E (0.48) SIGMAR1AOC3TSHRKCNH2ALDH1A1
SCHEMBL7991105 0.73 MAOA (0.46) CARM1PRMT6PRMT8HTR2AHRH1
SCHEMBL16461564 0.72 CARM1 (0.43) CARM1PRMT6PRMT8HTR2AHRH1
SCHEMBL24176560 0.72 TSHR (0.45) HTR2AHRH1SLC6A2SLC6A4SLC6A3
SCHEMBL14276380 0.72 TSHR (0.45) HTR2AHRH1SLC6A2SLC6A4SLC6A3
SCHEMBL24176562 0.72 TSHR (0.45) HTR2AHRH1SLC6A2SLC6A4SLC6A3
SCHEMBL3874218 0.71 SIGMAR1 (0.53) CARM1PRMT6PRMT8HTR2AHRH1

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-6117996-A COMPLEXING; SEPARATION; PURIFICATION OF PROTEINS NOVO NORDISK A/S (DK) 2000-09-12 US disclosed