SCHEMBL6994971

SCHEMBL6994971

O=C(O)[C@@H]1CC1c1cc(Cl)cc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.49
GRM4 Q14833 3/20 0.45
SLC9A1 P19634 2/20 0.43
TPMT P51580 1/20 0.40
KMO O15229 2/20 0.39
NOTUM Q6P988 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC4 P56524 1/20 0.38

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
SCHEMBL6994974 1.00 FFAR1 (0.49) FFAR1GRM4SLC9A1TPMTKMO
SCHEMBL8150013 1.00 FFAR1 (0.49) FFAR1GRM4SLC9A1TPMTKMO
SCHEMBL8150011 1.00 FFAR1 (0.49) FFAR1GRM4SLC9A1TPMTKMO
SCHEMBL29134885 0.88 FFAR1 (0.43) FFAR1GRM4SLC9A1KMOMEN1
SCHEMBL30015566 0.88 FFAR1 (0.43) FFAR1GRM4SLC9A1KMOMEN1
SCHEMBL23357835 0.88 FFAR1 (0.43) FFAR1GRM4SLC9A1KMOMEN1
SCHEMBL29302328 0.88 FFAR1 (0.49) FFAR1GRM4SLC9A1ALDH1A1LMNA
SCHEMBL29134884 0.88 FFAR1 (0.43) FFAR1GRM4SLC9A1KMOMEN1
SCHEMBL24737993 0.88 GRM4 (0.47) FFAR1GRM4SLC9A1MAPT
SCHEMBL28855849 0.82 SLC9A1 (0.49) FFAR1GRM4SLC9A1ALDH1A1

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
EP-0996621-B1 TRIAZOLO[4,5-d]PYRIMIDINE DERIVATIVES AS ANTI-THROMBOTIC AGENTS ASTRAZENECA AB (SE) 2003-10-01 EP disclosed
US-6251910-B1 1,2,3-triazolo[4,5-d]pyrimidines as P2T receptor antagonists ASTRAZENECA UK LIMITED (GB) 2001-06-26 US disclosed