SCHEMBL7822754

SCHEMBL7822754

O=C(O)C=CC(N1CCCCC1)N1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.38
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRE P78334 2/20 0.38
GABRA6 Q16445 2/20 0.38
GABRG1 Q8N1C3 2/20 0.38
GABRG3 Q99928 2/20 0.38
GABRQ Q9UN88 2/20 0.38
FDPS P14324 2/20 0.37
GAA P10253 1/20 0.36
TSHR P16473 3/20 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
SCHEMBL11534386 0.80 FDPS (0.35) DPP7FDPSGAALMNAALDH1A1
Maleic Acid SCHEMBL27727045 0.69 TSHR (0.47) GAATSHRTP53EGLN1EGLN3
SCHEMBL4125262 0.69 TSHR (0.40) GAATSHRTP53EGLN1EGLN3
SCHEMBL4125267 0.69 TSHR (0.40) GAATSHRTP53EGLN1EGLN3
SCHEMBL708155 0.69 FDPS (0.31) FDPS
SCHEMBL7227486 0.69 FDPS (0.31) FDPS
Fumaric Acid SCHEMBL18586002 0.68 TSHR (0.75) GAATSHRTP53EGLN1EGLN3
Maleic Acid SCHEMBL10749964 0.68 TSHR (0.75) GAATSHRTP53EGLN1EGLN3
SCHEMBL22847846 0.67 HCAR2 (0.53) DPP7GAATSHRTP53EGLN1
SCHEMBL22847868 0.67 ALDH1A1 (0.58) GAATSHRINMTLMNAALDH1A1

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-1117649-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS American Cyanamid Company (US) 2001-07-25 EP claimed
WO-2000018740-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-04-06 WO claimed