SCHEMBL7302589

SCHEMBL7302589

C=C(C)[C@H](CCC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
GPR119 Q8TDV5 2/20 0.40
STS P08842 1/20 0.40
YAP1 P46937 3/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
ALDH1A1 P00352 1/20 0.38
KLK7 P49862 1/20 0.38
KLK5 Q9Y337 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 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
SCHEMBL7989927 0.84 GPR119 (0.45) P2RX7KDM4EPKMGPR119STS
SCHEMBL7989930 0.84 GPR119 (0.45) P2RX7KDM4EPKMGPR119STS
SCHEMBL7895983 0.83 KDM4E (0.47) P2RX7KDM4EPKMGPR119STS
SCHEMBL6923165 0.83 KDM4E (0.47) P2RX7KDM4EPKMGPR119STS
SCHEMBL6867582 0.83 KDM4E (0.47) P2RX7KDM4EPKMGPR119STS
SCHEMBL6920978 0.83 KLK7 (0.46) P2RX7KDM4EPKMGPR119STS
SCHEMBL6920972 0.83 KLK7 (0.46) P2RX7KDM4EPKMGPR119STS
SCHEMBL29922276 0.82 GPR119 (0.49) KDM4EPKMGPR119STSGAA
SCHEMBL7496058 0.82 GPR119 (0.51) P2RX7KDM4EPKMGPR119STS
SCHEMBL7497146 0.82 GPR119 (0.51) P2RX7KDM4EPKMGPR119STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0478362-B1 Fibrinogen receptor antagonists MERCK & CO INC (US) 1999-06-09 EP disclosed
US-5264420-A Anticoagulants MERCK & CO., INC. (US) 1993-11-23 US disclosed
EP-0478362-A2 Fibrinogen receptor antagonists MERCK & CO. INC. (US) 1992-04-01 EP disclosed