SCHEMBL9536155

SCHEMBL9536155

c1cnc(NCCN2CCC(Cc3nc4ccccc4n3Cc3ccco3)CC2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
MKNK1 Q9BUB5 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
TRPC4 Q9UBN4 1/20 0.39
TRPC5 Q9UL62 1/20 0.39
HTT P42858 1/20 0.39
HRH1 P35367 1/20 0.39
ATM Q13315 1/20 0.39
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 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
SCHEMBL9536624 0.89 SLC6A9 (0.47) USP2KDM4EALDH1A1HSD17B10TSHR
SCHEMBL9538238 0.86 MEN1 (0.49) ALDH1A1HTTTDP1MEN1KMT2A
SCHEMBL8565529 0.85 GRIN2B (0.38) KDM4EALDH1A1HSD17B10MKNK1HTT
SCHEMBL9536425 0.85 KDM4E (0.43) USP2KDM4EALDH1A1HSD17B10TSHR
SCHEMBL9537470 0.84 KDM4E (0.50) USP2KDM4EALDH1A1HSD17B10TSHR
SCHEMBL9535315 0.84 ALDH1A1 (0.47) USP2KDM4EALDH1A1HSD17B10TSHR
SCHEMBL9537145 0.84 SLC6A9 (0.53) USP2KDM4EHSD17B10TSHRMKNK1
SCHEMBL9535187 0.83 ALDH1A1 (0.45) USP2KDM4EALDH1A1HSD17B10TSHR
SCHEMBL9536807 0.83 SSTR5 (0.50) USP2SMN1; SMN2HTTHRH1MEN1
SCHEMBL9536161 0.82 TSHR (0.42) USP2KDM4EALDH1A1HSD17B10TSHR

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-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP claimed