SCHEMBL7822115

SCHEMBL7822115

O=C(O)CCCCCCn1ccc2ccncc21

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.51
TBXAS1 P24557 11/20 0.46
MGLL Q99685 2/20 0.45
KMO O15229 1/20 0.45
CDK4 P11802 2/20 0.44
CCND1 P24385 2/20 0.44
TERT O14746 2/20 0.43

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
SCHEMBL7834050 1.00 P2RX7 (0.51) P2RX7TBXAS1MGLLKMOCDK4
SCHEMBL7831871 0.99 P2RX7 (0.52) P2RX7TBXAS1MGLLKMOCDK4
SCHEMBL2127960 0.88 KMO (0.56) P2RX7TBXAS1KMO
SCHEMBL7836228 0.82 TNF (0.51) P2RX7TBXAS1MGLL
SCHEMBL21245260 0.80 P2RX7 (0.52) P2RX7MGLLCDK4CCND1
SCHEMBL30582936 0.80 CDK4 (0.72) CDK4CCND1TERT
SCHEMBL19783673 0.80 CDK4 (0.72) CDK4CCND1TERT
SCHEMBL112058 0.79 KMT2A (0.60) P2RX7KMO
SCHEMBL1269116 0.78 CDK4 (0.71) CDK4CCND1TERT
SCHEMBL10469109 0.77 EGLN3 (0.52) TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0668279-B1 6-Azaindole thromboxane synthase inhibitors LILLY CO ELI (US) 2001-06-13 EP claimed
US-5468757-A FOR TREATING STROKE OR MYOCARDIAL INFARCTION IN HUMANS ELI LILLY AND COMPANY (US) 1995-11-21 US claimed
EP-0668279-A2 6-Azaindole thromboxane synthase inhibitors ELI LILLY AND COMPANY (US) 1995-08-23 EP claimed
EP-0668279-B1 6-Azaindole thromboxane synthase inhibitors LILLY CO ELI (US) 2001-06-13 EP disclosed
US-5468757-A FOR TREATING STROKE OR MYOCARDIAL INFARCTION IN HUMANS ELI LILLY AND COMPANY (US) 1995-11-21 US disclosed
EP-0668279-A2 6-Azaindole thromboxane synthase inhibitors ELI LILLY AND COMPANY (US) 1995-08-23 EP disclosed