SCHEMBL6693741

SCHEMBL6693741

Nc1nc(Cl)cc(NC2C=CC(CO)C2)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
OPRK1 P41145 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 3/20 0.37
POLA1 P09884 1/20 0.37
NR1I2 O75469 1/20 0.36
ALB P02768 1/20 0.36
PDE4D Q08499 1/20 0.36
HRH4 Q9H3N8 2/20 0.36
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
OPRM1 P35372 1/20 0.33
NUDT1 P36639 2/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
HSP90AB1 P08238 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
SCHEMBL8444901 1.00 CYP2D6 (0.48) CYP2D6CYP2C19OPRK1SMN1; SMN2ALDH1A1
SCHEMBL6693743 1.00 CYP2D6 (0.48) CYP2D6CYP2C19OPRK1SMN1; SMN2ALDH1A1
SCHEMBL7656846 0.83 NR1I2 (0.34) CYP2D6CYP2C19NR1I2ALBPDE4D
SCHEMBL7656839 0.78 NR1I2 (0.36) NR1I2ALBPDE4D
SCHEMBL9471063 0.76 CYP2D6 (0.51) CYP2D6CYP2C19OPRK1SMN1; SMN2ALDH1A1
SCHEMBL9667532 0.76 CYP2D6 (0.38) CYP2D6CYP2C19OPRK1SMN1; SMN2ALDH1A1
SCHEMBL6691481 0.76 NR1I2 (0.41) NR1I2ALBPDE4D
SCHEMBL6691478 0.76 NR1I2 (0.41) NR1I2ALBPDE4D
SCHEMBL332026 0.76 NR1I2 (0.41) NR1I2ALBPDE4D
SCHEMBL13790123 0.76 NR1I2 (0.41) NR1I2ALBPDE4D

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0878548-B1 Multistep process for the preparation of (1S,4R)- and/or (1R,4S)-4-(2-Amino-6-Chlor-9-H-purin-9-yl)-2-cyclopentene-1-methanol LONZA AG (CH) 2004-09-01 EP disclosed
US-5922694-A SUBSTITUTED-OXY METHYL CYCLOPENTENYL-SUBSTITUTED PURINES AND 8-AZAPURINES ANTI HUMAN IMMUNODEFICIENCY VIRUS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1999-07-13 US disclosed
EP-0434450-B1 Therapeutic nucleosides WELLCOME FOUND (GB) 1999-07-07 EP disclosed
EP-0921114-A1 Intermediates to therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1999-06-09 EP disclosed
EP-0921121-A1 Intermediates to therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1999-06-09 EP disclosed
EP-0349242-B1 Therapeutic nucleosides WELLCOME FOUND (GB) 1995-03-22 EP disclosed
US-5049671-A Hepatitis, AIDS BURROUGHS WELLCOME CO. (US) 1991-09-17 US disclosed
EP-0434450-A2 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1991-06-26 EP disclosed
EP-0349242-A2 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1990-01-03 EP disclosed