SCHEMBL8003701

SCHEMBL8003701

NCCC(N)N(CCc1ccccc1)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.44
HTR2A P28223 2/20 0.44
CYP2A6 P11509 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
PRMT8 Q9NR22 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
AOC3 Q16853 3/20 0.42
MAOA P21397 1/20 0.40
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
BCHE P06276 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37

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
SCHEMBL7991105 0.90 MAOA (0.46) TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2
SCHEMBL6267693 0.74 CARM1 (0.52) TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2
SCHEMBL8641403 0.72 SIGMAR1 (0.45) CARM1PRMT6PRMT8SIGMAR1AOC3
SCHEMBL9130530 0.72 AOC3 (0.45) TAAR1HTR2ACYP2A6CARM1PRMT6
SCHEMBL3585497 0.69 HTR2A (0.56) TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2
SCHEMBL4372177 0.68 CARM1 (0.58) TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2
SCHEMBL18641347 0.68 CARM1 (0.58) TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2
SCHEMBL8828293 0.68 MAOA (0.50) TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2
SCHEMBL18085350 0.68 CARM1 (0.44) TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2
SCHEMBL3203375 0.67 AOC3 (0.48) TAAR1HTR2ACYP2A6CARM1PRMT6

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