SCHEMBL6693743

SCHEMBL6693743

Nc1nc(Cl)cc(N[C@@H]2C=C[C@H](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
SCHEMBL6693741 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 17 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
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
EP-0366385-B1 GUANINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY AND THEIR PHARMACEUTICALLY ACCEPTABLE SALTS THE WELLCOME FOUNDATION LIMITED (GB) 1993-06-09 EP disclosed
US-5206435-A Viricides; HIV, aides BURROUGHS WELLCOME CO. (US) 1993-04-27 US disclosed
EP-0479822-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1992-04-15 EP disclosed
US-5089500-A Viricides; hepatitis, aids BURROUGHS WELLCOME CO. (US) 1992-02-18 US disclosed
US-5087697-A Aids, viricides BURROUGHS WELLCOME CO. (US) 1992-02-11 US disclosed
US-5049671-A Hepatitis, AIDS BURROUGHS WELLCOME CO. (US) 1991-09-17 US disclosed
US-5034394-A Therapeutic nucleosides BURROUGHS WELLCOME CO. (US) 1991-07-23 US disclosed
EP-0434450-A2 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1991-06-26 EP disclosed
WO-1991000282-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1991-01-10 WO disclosed
EP-0366385-A1 Guanine derivatives having antiviral activity and their pharmaceutically acceptable salts THE WELLCOME FOUNDATION LIMITED (GB) 1990-05-02 EP disclosed
EP-0361831-A1 Antiviral nucleoside combination THE WELLCOME FOUNDATION LIMITED (GB) 1990-04-04 EP disclosed
EP-0349242-A2 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1990-01-03 EP disclosed