SCHEMBL8931917

SCHEMBL8931917

O=C(O)CCCCCCCN1c2ccccc2CN1c1ccccc1-c1nn[nH]n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.44
AGTR2 P50052 3/20 0.44
LTB4R2 Q9NPC1 3/20 0.44
HTR1A P08908 2/20 0.39
DRD2 P14416 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGIR P43119 3/20 0.38
FAAH O00519 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
CES1 P23141 1/20 0.35
NCEH1 Q6PIU2 1/20 0.35

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
SCHEMBL8931994 0.71 AGTR1 (0.49) AGTR1AGTR2LTB4R2
SCHEMBL8931891 0.69 AGTR1 (0.50) AGTR1AGTR2ALDH1A1KMT2AL3MBTL1
SCHEMBL8931841 0.69 AGTR1 (0.50) AGTR1AGTR2ALDH1A1KMT2AL3MBTL1
SCHEMBL8931806 0.69 AGTR1 (0.50) AGTR1AGTR2ALDH1A1KMT2AL3MBTL1
SCHEMBL8931946 0.67 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL8931835 0.66 AGTR1 (0.44) AGTR1AGTR2ALDH1A1MEN1KMT2A
SCHEMBL19283593 0.65 ALDH1A1 (0.53) AGTR1AGTR2LTB4R2ALDH1A1MEN1
SCHEMBL8931824 0.65 OPRK1 (0.51) ALDH1A1MEN1KMT2AKDM4ETSHR
SCHEMBL8931896 0.65 AGTR1 (0.49) AGTR1AGTR2ALDH1A1KMT2AL3MBTL1
SCHEMBL284853 0.64 HDAC3 (0.56) HTR1ADRD2MEN1KMT2AL3MBTL1

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-5693633-A Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1997-12-02 US disclosed