SCHEMBL7274864

SCHEMBL7274864

N=C(N)NCCCCCC(=O)NC[C@@H]1C[C@@H](CC(=O)O)C(=O)N1CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
F13A1 P00488 1/20 0.39
ALDH1A1 P00352 3/20 0.38
NCOR2 Q9Y618 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
MTNR1A P48039 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
HPGD P15428 1/20 0.36
PPARG P37231 1/20 0.36
MAPK10 P53779 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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 0.96 NAMPT (0.41) NAMPTTSHRLMNAF13A1ALDH1A1
SCHEMBL7272690 0.96 NAMPT (0.41) NAMPTTSHRLMNAF13A1ALDH1A1
SCHEMBL7284310 0.96 NAMPT (0.41) NAMPTTSHRLMNAF13A1ALDH1A1
SCHEMBL7274469 0.95 LMNA (0.42) NAMPTTSHRLMNAF13A1ALDH1A1
SCHEMBL7274533 0.92 TSHR (0.40) NAMPTTSHRLMNAF13A1ALDH1A1
SCHEMBL7282847 0.91 HDAC3 (0.41) NAMPTTSHRLMNAF13A1ALDH1A1
SCHEMBL7274136 0.91 HDAC1 (0.39) F13A1HDAC1HDAC2HDAC8HDAC6
Hydrochloric Acid SCHEMBL7283118 0.90 NAMPT (0.41) NAMPTTSHRLMNAF13A1ALDH1A1
SCHEMBL7272983 0.88 GRB2 (0.37) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL7274399 0.88 MMP2 (0.42) F13A1ALDH1A1NCOR2HDAC1HDAC2

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