SCHEMBL9685729

SCHEMBL9685729

CCOCCn1c(CN2CCN(Cc3nc4cccnc4n3Cc3ccc(C)o3)CC2)nc2cccnc21

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.59
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.37
GPR4 P46093 1/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 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
Fumaric Acid SCHEMBL9635946 0.93 SLC6A9 (0.55) SLC6A9ALDH1A1MEN1KMT2ACHRM5
SCHEMBL9684792 0.87 CHRM5 (0.49) SLC6A9ALDH1A1MEN1KMT2ACHRM5
SCHEMBL9685926 0.85 SLC6A9 (0.68) SLC6A9ALDH1A1MEN1KMT2ACHRM5
SCHEMBL9686512 0.85 SLC6A9 (0.68) SLC6A9ALDH1A1MEN1KMT2ACHRM5
SCHEMBL9636347 0.84 HTR3E (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL10444904 0.84 SLC6A9 (0.67) SLC6A9ALDH1A1MEN1KMT2ACHRM5
SCHEMBL9636330 0.82 SLC6A9 (0.68) SLC6A9ALDH1A1MEN1KMT2ACHRM5
SCHEMBL9635911 0.82 SLC6A9 (0.68) SLC6A9ALDH1A1MEN1KMT2ACHRM5
SCHEMBL9685945 0.82 NPC1 (0.40) SLC6A9ALDH1A1CHRM5CHRM1LMNA
SCHEMBL9685783 0.81 SLC6A9 (0.64) SLC6A9ALDH1A1MEN1KMT2ACHRM5

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
EP-0307014-B1 ANTI-ALLERGIC 2-(HETEROCYCLYL ALKYL) IMIDAZO PYRIDINES AND 2-(HETEROCYCLYL ALKYL) PURINES JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-09 EP disclosed