SCHEMBL9537145

SCHEMBL9537145

c1cnc(NCCN2CCC(Cc3nc4ccccc4n3Cc3cccs3)CC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.42
TSHR P16473 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MKNK1 Q9BUB5 1/20 0.39
HRH1 P35367 1/20 0.39
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
USP2 O75604 1/20 0.38
GRIN2B Q13224 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9538015 0.89 SLC6A9 (0.65) SLC6A9TSHRMAPTHSD17B10GRIN2B
SCHEMBL9538238 0.86 MEN1 (0.49) HTTGRIN2BNPSR1TDP1MEN1
SCHEMBL9536155 0.84 USP2 (0.42) SLC6A9SMN1; SMN2TSHRKDM4EMAPT
SCHEMBL9537428 0.83 SLC6A9 (0.46) SLC6A9SMN1; SMN2TSHRKDM4EMAPT
SCHEMBL9539219 0.83 HRH1 (0.42) SLC6A9KDM4EMKNK1HRH1HTT
SCHEMBL9536807 0.83 SSTR5 (0.50) SMN1; SMN2MAPTHRH1HTTRAB9A
SCHEMBL9536207 0.82 SLC6A9 (0.43) SLC6A9SMN1; SMN2TSHRKDM4EMAPT
SCHEMBL8565529 0.82 GRIN2B (0.38) SLC6A9KDM4EHPGDHSD17B10MKNK1
SCHEMBL9536175 0.82 SLC6A2 (0.48) SLC6A9MAPTMEN1KMT2A
SCHEMBL9539084 0.81 MEN1 (0.52) SLC6A9SMN1; SMN2TSHRKDM4EMAPT

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