SCHEMBL7949955

SCHEMBL7949955

OCCCCc1cc(-c2ccccn2)nc(-c2ccccn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.50
CCR5 P51681 3/20 0.50
CCR8 P51685 3/20 0.50
KDM4E B2RXH2 4/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 2/20 0.48
ALOX15 P16050 2/20 0.48
HTT P42858 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALPL P05186 1/20 0.48
HSP90AA1 P07900 1/20 0.48
ALPI P09923 1/20 0.48
ALPG P10696 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
METAP1 P53582 1/20 0.45
BLM P54132 1/20 0.45

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
SCHEMBL12131376 0.95 CCR1 (0.51) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL9756771 0.84 HRH1 (0.51) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL7951004 0.84 CCR1 (0.50) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL9680002 0.83 CCR1 (0.49) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL4849761 0.83 CCR1 (0.49) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL4849559 0.83 CCR1 (0.49) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL14263382 0.81 CCR1 (0.58) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL7911551 0.80 SMN1; SMN2 (0.53) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL4844930 0.80 CES1 (0.46) CCR1CCR5CCR8CES1FAAH
SCHEMBL4851185 0.80 CES1 (0.46) CCR1CCR5CCR8CES1FAAH

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-6258941-B1 METAL COMPLEX COVALENTLY LINKED TO NUCLEOSIDE, NUCLEOTIDE, OR OLIGONUCLEOTIDE; COMPLEX IS CAPABLE OF HYDROLYZING RNA; SYNTHETIC RIBOZYMES/ANTISENSE AGENTS FOR GENE EXPRESSION INHIBITION WASHINGTON UNIVERSITY 2001-07-10 US disclosed
WO-1991019730-A1 RNA HYDROLYSIS/CLEAVAGE MONSANTO COMPANY (US) 1991-12-26 WO disclosed