SCHEMBL7272971

SCHEMBL7272971

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
F13A1 P00488 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
ALDH1A1 P00352 3/20 0.37
NCOR2 Q9Y618 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
HPGD P15428 1/20 0.36
PPARG P37231 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
SCHEMBL7284310 1.00 NAMPT (0.41) NAMPTLMNATSHRF13A1L3MBTL1
SCHEMBL7272690 1.00 NAMPT (0.41) NAMPTLMNATSHRF13A1L3MBTL1
SCHEMBL7274469 0.99 LMNA (0.42) NAMPTLMNATSHRF13A1L3MBTL1
SCHEMBL7274533 0.96 TSHR (0.40) NAMPTLMNATSHRF13A1L3MBTL1
SCHEMBL7274864 0.96 NAMPT (0.40) NAMPTLMNATSHRF13A1L3MBTL1
Hydrochloric Acid SCHEMBL7283118 0.94 NAMPT (0.41) NAMPTLMNATSHRF13A1L3MBTL1
Water SCHEMBL7275711 0.92 LMNA (0.42) NAMPTLMNATSHRF13A1L3MBTL1
SCHEMBL7280925 0.91 LMNA (0.43) NAMPTLMNATSHRL3MBTL1ITGB3
Hydrochloric Acid SCHEMBL7283057 0.91 NAMPT (0.39) NAMPTLMNATSHRF13A1L3MBTL1
Hydrochloric Acid SCHEMBL7274728 0.91 NAMPT (0.39) NAMPTLMNATSHRF13A1L3MBTL1

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
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 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