SCHEMBL7962746

SCHEMBL7962746

O[C@H](COc1ccc2cccnc2c1)CN1CCC(O)(c2cnc3ccccc3n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 3/20 0.46
NPSR1 Q6W5P4 2/20 0.45
HTT P42858 2/20 0.45
USP2 O75604 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 2/20 0.43
POLB P06746 2/20 0.43
PRMT5 O14744 4/20 0.43
WDR77 Q9BQA1 2/20 0.43
PDE10A Q9Y233 1/20 0.42
ACE2 Q9BYF1 1/20 0.40
UBE2N P61088 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR1A P08908 1/20 0.40
ADORA2A P29274 1/20 0.40

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
SCHEMBL7953287 0.88 SMN1; SMN2 (0.48) SMN1; SMN2KDM4ENPSR1HTTUSP2
SCHEMBL7962698 0.84 L3MBTL1 (0.46) SMN1; SMN2KDM4EUSP2MAPK1HSD17B10
SCHEMBL7962210 0.83 TP53 (0.56) SMN1; SMN2KDM4EMAPK1MAPTPOLB
SCHEMBL7962748 0.83 PDE10A (0.39) MAPTPDE10AHTR1A
SCHEMBL7962982 0.82 SMN1; SMN2 (0.49) SMN1; SMN2KDM4ENPSR1HTTUSP2
SCHEMBL7962741 0.82 PDE10A (0.42) HTTMAPTPDE10A
SCHEMBL27193282 0.79 SMN1; SMN2 (0.57) SMN1; SMN2KDM4ENPSR1HTTUSP2
SCHEMBL7200720 0.79 SMN1; SMN2 (0.57) SMN1; SMN2KDM4ENPSR1HTTUSP2
Sulfuric Acid SCHEMBL7968960 0.78 ADORA2A (0.39) SMN1; SMN2KDM4EPOLBPRMT5WDR77
SCHEMBL7965117 0.77 CYP1A2 (0.58) SMN1; SMN2NPSR1HTTUSP2MAPT

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
US-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 US disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed