SCHEMBL7986175

SCHEMBL7986175

O=C(NC1CC2CC(NC(=O)c3ccccn3)CC2C1)c1ccccn1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.72
SMYD3 Q9H7B4 1/20 0.59
KDM4E B2RXH2 3/20 0.58
KMT2A Q03164 3/20 0.58
GAA P10253 2/20 0.58
TNKS2 Q9H2K2 3/20 0.52
TNKS O95271 2/20 0.52
CRBN Q96SW2 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 1/20 0.50
AGTR1 P30556 1/20 0.50
OPRK1 P41145 1/20 0.50
RECQL P46063 1/20 0.50
RAB9A P51151 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48

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
SCHEMBL31116604 0.89 GRM5 (0.70) GRM5SMYD3KDM4EKMT2AGAA
SCHEMBL2241357 0.86 GRM5 (0.77) GRM5SMYD3KDM4EKMT2AGAA
SCHEMBL2246381 0.83 GRM5 (0.82) GRM5SMYD3KDM4EKMT2AGAA
SCHEMBL16394406 0.83 GRM5 (0.88) GRM5SMYD3KDM4EKMT2AGAA
SCHEMBL12517648 0.83 GRM5 (0.63) GRM5SMYD3KDM4EKMT2AGAA
SCHEMBL6499068 0.82 GRM5 (0.66) GRM5SMYD3KDM4EKMT2AGAA
SCHEMBL9965813 0.82 GRM5 (0.66) GRM5SMYD3KDM4EKMT2AGAA
SCHEMBL22449377 0.82 GRM5 (0.80) GRM5SMYD3KDM4EKMT2AGAA
SCHEMBL2590689 0.82 GRM5 (0.80) GRM5SMYD3KDM4EKMT2AGAA
SCHEMBL29580741 0.82 GRM5 (0.66) GRM5SMYD3KDM4EKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6191146-B1 BACTERICIDES, FUNGICIDES, VIRICIDES SMITHKLINE BEECHAM CORPORATION 2001-02-20 US claimed
EP-0866700-A4 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1999-04-07 EP claimed
EP-0866700-A1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-09-30 EP claimed
WO-1997017958-A1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-22 WO claimed
US-6191146-B1 BACTERICIDES, FUNGICIDES, VIRICIDES SMITHKLINE BEECHAM CORPORATION 2001-02-20 US disclosed
EP-0866700-A4 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1999-04-07 EP disclosed
EP-0866700-A1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-09-30 EP disclosed
WO-1997017958-A1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-22 WO disclosed