SCHEMBL7389833

SCHEMBL7389833

COC(=O)C1CCC(N2CCN(c3ccc(OCC#N)cc3)C2=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
BTK Q06187 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DPP4 P27487 1/20 0.39
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HDAC1 Q13547 1/20 0.37
MAPT P10636 3/20 0.36
GALR3 O60755 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
PKM P14618 1/20 0.35
LMNA P02545 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
SCHEMBL7389831 1.00 ALDH1A1 (0.44) ALDH1A1GAABTKSMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL7389071 0.84 ALDH1A1 (0.45) ALDH1A1GAABTKSMN1; SMN2L3MBTL1
SCHEMBL7394211 0.81 MAPT (0.41) ALDH1A1GAABTKMAPTHSD17B10
SCHEMBL7394208 0.81 MAPT (0.41) ALDH1A1GAABTKMAPTHSD17B10
Hydrochloric Acid SCHEMBL7391497 0.75 KHK (0.39) BTKHRH3
Hydrochloric Acid SCHEMBL7390541 0.74 HRH3 (0.43) ALDH1A1GAABTKMAPTHSD17B10
Hydrochloric Acid SCHEMBL8413942 0.74 HRH3 (0.43) ALDH1A1GAABTKMAPTHSD17B10
SCHEMBL7390283 0.73 S1PR5 (0.42) POLBHPGDHRH3
SCHEMBL7390279 0.73 S1PR5 (0.42) POLBHPGDHRH3
Hydrochloric Acid SCHEMBL7394016 0.72 HRH3 (0.42) POLBHPGDHRH3

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-0587134-A2 Cyclic urea derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-03-16 EP disclosed