SCHEMBL6764237

SCHEMBL6764237

Nc1nc(Cl)c2ncn([C@@H]3C=CC(CO)C3)c2n1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.67
ALB P02768 1/20 0.67
PDE4D Q08499 1/20 0.67
ABCB1 P08183 5/20 0.52
ADCY5 O95622 6/20 0.48
AHCY P23526 1/20 0.45
NT5E P21589 1/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 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
SCHEMBL7654778 1.00 NR1I2 (0.67) NR1I2ALBPDE4DABCB1ADCY5
SCHEMBL31454794 1.00 NR1I2 (0.67) NR1I2ALBPDE4DABCB1ADCY5
SCHEMBL4490402 1.00 NR1I2 (0.67) NR1I2ALBPDE4DABCB1ADCY5
SCHEMBL13789990 1.00 NR1I2 (0.67) NR1I2ALBPDE4DABCB1ADCY5
SCHEMBL31454816 1.00 NR1I2 (0.67) NR1I2ALBPDE4DABCB1ADCY5
SCHEMBL6694128 1.00 NR1I2 (0.67) NR1I2ALBPDE4DABCB1ADCY5
SCHEMBL14048997 1.00 NR1I2 (0.67) NR1I2ALBPDE4DABCB1ADCY5
SCHEMBL7099022 1.00 NR1I2 (0.67) NR1I2ALBPDE4DABCB1ADCY5
Hydrochloric Acid SCHEMBL6897280 0.99 NR1I2 (0.66) NR1I2ALBPDE4DABCB1ADCY5
Hydrochloric Acid SCHEMBL6897283 0.99 NR1I2 (0.66) NR1I2ALBPDE4DABCB1ADCY5

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
US-6723868-B1 REDUCING 2-AZABICYCLO(2.2.1)HEPT-5-EN-1-ONE WITH LITHIUM BOROHYDRIDE TO FORM 1-AMINO-4-(HYDROXYMETHYL)-2- CYCLOPENTENE LONZA AG (CH) 2004-04-20 US disclosed