SCHEMBL9684792

SCHEMBL9684792

Cc1ccc(Cn2c(CN3CCN(C)CC3)nc3cccnc32)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.49
CHRM1 P11229 1/20 0.49
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
SLC6A9 P48067 1/20 0.43
CHKA P35790 1/20 0.39
GPR4 P46093 1/20 0.39
GRM2 Q14416 1/20 0.39
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR1A P08908 1/20 0.38
HTR2C P28335 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 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
Fumaric Acid SCHEMBL9636448 0.92 CHRM5 (0.52) CHRM5CHRM1KMT2AMEN1USP2
SCHEMBL9685945 0.88 NPC1 (0.40) CHRM5CHRM1ALDH1A1NPC1SLC6A9
SCHEMBL9685729 0.87 SLC6A9 (0.59) CHRM5CHRM1KMT2AMEN1ALDH1A1
SCHEMBL9636347 0.84 HTR3E (0.48) KMT2AMEN1L3MBTL1ALDH1A1NPC1
SCHEMBL9687078 0.83 CHRM5 (0.50) CHRM5CHRM1KMT2AMEN1USP2
Fumaric Acid SCHEMBL9634992 0.81 CHRM5 (0.41) CHRM5CHRM1ALDH1A1NPC1SLC6A9
Fumaric Acid SCHEMBL9635946 0.81 SLC6A9 (0.55) CHRM5CHRM1KMT2AMEN1ALDH1A1
SCHEMBL9687009 0.80 CHRM5 (0.49) CHRM5CHRM1KMT2AMEN1USP2
SCHEMBL9634955 0.79 CHRM5 (0.57) CHRM5CHRM1KMT2AMEN1USP2
SCHEMBL9687066 0.77 RET (0.39) KMT2AMEN1ALDH1A1NPC1TP53

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 2 patents. 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
EP-0307014-A1 Anti-allergic 2-(heterocyclyl alkyl) imidazo pyridines and 2-(heterocyclyl alkyl) purines JANSSEN PHARMACEUTICA N.V. (BE) 1989-03-15 EP disclosed