SCHEMBL7274469

SCHEMBL7274469

N=C(N)NCCCCC(=O)NC[C@@H]1C[C@@H](CC(=O)O)C(=O)N1CCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
NAMPT P43490 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
ALDH1A1 P00352 2/20 0.38
F13A1 P00488 1/20 0.37
F2 P00734 2/20 0.35
LTA4H P09960 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL7272971 0.99 NAMPT (0.41) LMNATSHRNAMPTL3MBTL1ITGB3
SCHEMBL7272690 0.99 NAMPT (0.41) LMNATSHRNAMPTL3MBTL1ITGB3
SCHEMBL7284310 0.99 NAMPT (0.41) LMNATSHRNAMPTL3MBTL1ITGB3
SCHEMBL7274533 0.97 TSHR (0.40) LMNATSHRNAMPTL3MBTL1ITGB3
SCHEMBL7274864 0.95 NAMPT (0.40) LMNATSHRNAMPTL3MBTL1ITGB3
Hydrochloric Acid SCHEMBL7283118 0.93 NAMPT (0.41) LMNATSHRNAMPTL3MBTL1ITGB3
SCHEMBL7280925 0.92 LMNA (0.43) LMNATSHRNAMPTL3MBTL1ITGB3
Hydrochloric Acid SCHEMBL7281517 0.91 L3MBTL1 (0.38) LMNATSHRNAMPTL3MBTL1ALDH1A1
Water SCHEMBL7275711 0.91 LMNA (0.42) LMNATSHRNAMPTL3MBTL1ITGB3
SCHEMBL7276721 0.90 TRPV1 (0.43) LMNAALDH1A1F2HDAC3HDAC1

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
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed