SCHEMBL7991105

SCHEMBL7991105

NCCCC(N)N(CCc1ccccc1)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
SIGMAR1 Q99720 2/20 0.44
HTR2A P28223 3/20 0.41
TAAR1 Q96RJ0 2/20 0.41
CYP2A6 P11509 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
PRMT8 Q9NR22 1/20 0.41
HRH1 P35367 1/20 0.41
AOC3 Q16853 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
SCHEMBL8003701 0.90 TAAR1 (0.44) MAOASIGMAR1HTR2ATAAR1CYP2A6
SCHEMBL8006413 0.73 CARM1 (0.42) MAOASIGMAR1HTR2ATAAR1CYP2A6
SCHEMBL8641403 0.73 SIGMAR1 (0.45) SIGMAR1CARM1PRMT6PRMT8AOC3
SCHEMBL8828293 0.72 MAOA (0.50) MAOASIGMAR1HTR2ATAAR1CYP2A6
SCHEMBL28307957 0.71 MAOA (0.57) MAOASIGMAR1HTR2ATAAR1CYP2A6
SCHEMBL28163397 0.71 MAOA (0.63) MAOASIGMAR1HTR2ATAAR1CYP2A6
Hydrochloric Acid SCHEMBL17372604 0.70 OPRM1 (0.57) MAOAHTR2ATAAR1CYP2A6SMN1; SMN2
SCHEMBL3874218 0.70 SIGMAR1 (0.53) MAOASIGMAR1HTR2ASMN1; SMN2CARM1
SCHEMBL29766190 0.70 EPOR (0.54) MAOAHTR2AHRH1
SCHEMBL9130530 0.69 AOC3 (0.45) MAOASIGMAR1HTR2ATAAR1CYP2A6

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