SCHEMBL7964475

SCHEMBL7964475

CC(C)(C)OCN1CCC(O)(c2cncc3ccccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 0.41
CYP11B1 P15538 8/20 0.37
SLC6A1 P30531 2/20 0.36
SLC6A12 P48065 2/20 0.36
SLC6A11 P48066 2/20 0.36
SLC6A13 Q9NSD5 1/20 0.36
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
OPRL1 P41146 2/20 0.32
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
CDK8 P49336 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
SSTR4 P31391 1/20 0.31

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
SCHEMBL7964478 0.78 CYP11B2 (0.62) CYP11B2CYP11B1
SCHEMBL28396299 0.76 CYP11B2 (0.43) CYP11B2CYP11B1ITGA4ITGB7
SCHEMBL8139378 0.74 SLC6A1 (0.34) CYP11B2SLC6A1SLC6A12SLC6A11SLC6A13
SCHEMBL7963099 0.74 KMT2A (0.49) MEN1ALDH1A1KMT2A
SCHEMBL7963100 0.74 SLC6A1 (0.34) CYP11B2SLC6A1SLC6A12SLC6A11SLC6A13
Oxalic Acid SCHEMBL7966080 0.72 KDM4E (0.54) MEN1ALDH1A1KMT2A
SCHEMBL8879291 0.71 HTR2A (0.39) CYP11B2CYP11B1SLC6A1SLC6A12SLC6A11
SCHEMBL7965451 0.70 SMN1; SMN2 (0.55) MEN1ALDH1A1MAPK1KMT2A
SCHEMBL7965454 0.70 OPRL1 (0.36) SLC6A1SLC6A12SLC6A11SLC6A13DRD3
SCHEMBL7964139 0.70 CYP11B1 (0.46) CYP11B2CYP11B1DRD2MEN1KMT2A

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
WO-2000006166-A1 5-HT1F ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed