SCHEMBL9869988

SCHEMBL9869988

CN(C)Cc1ccc(CNCCN2CCN/C2=C\[N+](=O)[O-])o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
ACHE P22303 12/20 0.38
MEN1 O00255 1/20 0.38
SLC22A1 O15245 1/20 0.38
ABCB11 O95342 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
TSHR P16473 1/20 0.38
ADRA2C P18825 1/20 0.38
NFKB1 P19838 1/20 0.38
CHRM3 P20309 1/20 0.38
ATP4A P20648 1/20 0.38
PTGS1 P23219 1/20 0.38
HRH2 P25021 1/20 0.38
SLC6A4 P31645 1/20 0.38
CYP2C19 P33261 1/20 0.38
ADRA1A P35348 1/20 0.38
PTGS2 P35354 1/20 0.38
ATP4B P51164 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
SCHEMBL9852504 1.00 SMN1; SMN2 (0.40) SMN1; SMN2ACHEMEN1SLC22A1ABCB11
SCHEMBL9852507 0.82 SMN1; SMN2 (0.41) SMN1; SMN2ACHEMEN1SLC22A1ABCB11
SCHEMBL9212163 0.77 ACHE (0.38) ACHEKMT2AHRH3BCHE
SCHEMBL9219620 0.74 ACHE (0.34) ACHEBCHE
SCHEMBL2068396 0.71 SMN1; SMN2 (0.73) SMN1; SMN2CYP2C19MAPTCHRNA1CHRNA3
SCHEMBL11707997 0.69 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2AMAPTCHRNA1
SCHEMBL11812000 0.69 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2AMAPTCHRNA1
SCHEMBL9216204 0.66 ACHE (0.71) ACHEMEN1SLC22A1ABCB11LMNA
SCHEMBL9216213 0.66 ACHE (0.71) ACHEMEN1SLC22A1ABCB11LMNA
SCHEMBL2067894 0.66 SMN1; SMN2 (0.50) SMN1; SMN2KMT2ACHRNA1CHRNA3CHRNA7

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-5075301-A FURAN DERIVATIVES USEFUL FOR THE TREATMENT OF GASTRO-INTESTINAL DISORDERS KYOWA HAKKO KOGYO, CO., LTD. (JP) 1991-12-24 US disclosed