SCHEMBL8555783

SCHEMBL8555783

CCCCC(=O)Nc1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CCN(Cc3ccccc3)C(=O)O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DAPK3 O43293 1/20 0.46
STK17B O94768 1/20 0.46
DAPK1 P53355 1/20 0.46
STK17A Q9UEE5 1/20 0.46
DAPK2 Q9UIK4 1/20 0.46
GNRHR P30968 4/20 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
SCHEMBL6977603 0.91 HDAC1 (0.47) DAPK3STK17BDAPK1STK17ADAPK2
SCHEMBL7899429 0.73 GNRHR (0.41) GNRHR
SCHEMBL6983626 0.72 HDAC1 (0.48) GNRHR
SCHEMBL7912488 0.70 GNRHR (0.42) GNRHR
SCHEMBL8700278 0.70 DAPK3 (0.44) DAPK3STK17BDAPK1STK17ADAPK2
SCHEMBL6982755 0.70 HDAC1 (0.42) GNRHR
SCHEMBL6978805 0.69 HDAC1 (0.45) GNRHR
SCHEMBL8596661 0.68 HTR1F (0.42)
SCHEMBL7907194 0.68 GNRHR (0.60) GNRHR
SCHEMBL19308465 0.67 P2RY12 (0.73) DAPK3STK17BDAPK1STK17ADAPK2

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-0873336-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (a New Jersey corp.) (US) 1998-10-28 EP disclosed
WO-1997021704-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-06-19 WO disclosed