SCHEMBL7219637

SCHEMBL7219637

Cc1cc([C@@H]2CN(CC(C)(C)O)C[C@@H]2c2ccccc2)cc(=O)n1CC(=O)NCc1cnc2[nH]cc(F)c2c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.34
METAP2 P50579 1/20 0.33
CES2 O00748 1/20 0.33
PRSS1 P07477 2/20 0.33
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MARK4 Q96L34 1/20 0.32
PLCG1 P19174 1/20 0.32

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
SCHEMBL7219642 1.00 F2 (0.37) F2LMNASMN1; SMN2HTTMETAP2
SCHEMBL7219640 1.00 F2 (0.37) F2LMNASMN1; SMN2HTTMETAP2
SCHEMBL7446869 0.82 EZH2 (0.35) F2LMNAMETAP2MEN1KMT2A
SCHEMBL7214972 0.75 KDM4E (0.40)
SCHEMBL7214969 0.75 KDM4E (0.40)
SCHEMBL7214985 0.75 KDM4E (0.40)
SCHEMBL7216088 0.71 KDM4E (0.43) SMN1; SMN2POLBTSHRMEN1KMT2A
SCHEMBL7216094 0.71 KDM4E (0.43) SMN1; SMN2POLBTSHRMEN1KMT2A
SCHEMBL7216082 0.71 KDM4E (0.43) SMN1; SMN2POLBTSHRMEN1KMT2A
SCHEMBL23461191 0.61 F2 (0.73) F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610692-B1 Anticoagulants MERCK & CO., INC. 2003-08-26 US disclosed
EP-1124822-A4 THROMBIN INHIBITORS MERCK & CO INC (US) 2002-04-03 EP disclosed
EP-1124822-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2001-08-22 EP disclosed
WO-2000026211-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2000-05-11 WO disclosed