SCHEMBL9744943

SCHEMBL9744943

CN1C2CCC1CC(c1c(C(N)=O)c(=O)c3ccccc3n1C1CCCCC1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 1/20 0.47
CRHBP P24387 3/20 0.43
CRHR2 Q13324 3/20 0.43
LMNA P02545 1/20 0.43
XBP1 P17861 1/20 0.43
MAPK1 P28482 1/20 0.43
HTR3A P46098 9/20 0.42
HTR3E A5X5Y0 6/20 0.42
HTR3B O95264 6/20 0.42
HTR3D Q70Z44 6/20 0.42
HTR3C Q8WXA8 6/20 0.42
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 1/20 0.41
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OGFRL1 Q5TC84 1/20 0.39
SLC22A2 O15244 1/20 0.39

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
SCHEMBL9680491 0.79 HTR3A (0.54) ALDH1A1HTR3AHTR3EHTR3BHTR3D
SCHEMBL28859816 0.73 MEN1 (0.46) MEN1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL1440437 0.71 MEN1 (0.77) MEN1KMT2AALDH1A1XBP1MAPK1
SCHEMBL1441135 0.69 MEN1 (0.74) MEN1KMT2AALDH1A1XBP1MAPK1
SCHEMBL27735261 0.67 GAA (0.55) MEN1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL1441295 0.67 MEN1 (0.66) MEN1KMT2AALDH1A1HTR3AHTR3E
SCHEMBL19691390 0.66 ALDH1A1 (0.46) MEN1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL30002195 0.66 KDM4E (0.61) MEN1KMT2AALDH1A1KDM4E
SCHEMBL8152105 0.65 MEN1 (0.49) MEN1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL9429631 0.65 HTR3E (0.47) HTR3AHTR3EHTR3BHTR3DHTR3C

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-0494978-A1 HETEROCYCLIC COMPOUNDS. WYETH JOHN & BROTHER LTD (GB) 1992-07-22 EP claimed
WO-1991005783-A1 HETEROCYCLIC COMPOUNDS JOHN WYETH & BROTHER LIMITED (GB) 1991-05-02 WO claimed