SCHEMBL7280925

SCHEMBL7280925

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
NAMPT P43490 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 3/20 0.37
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
HPGD P15428 2/20 0.36
NCOR2 Q9Y618 2/20 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
NR2E3 Q9Y5X4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LTA4H P09960 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 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
Water SCHEMBL7275711 0.98 LMNA (0.42) LMNATSHRITGB3ITGA2BNAMPT
SCHEMBL7274469 0.92 LMNA (0.42) LMNATSHRITGB3ITGA2BNAMPT
SCHEMBL7272690 0.91 NAMPT (0.41) LMNATSHRITGB3ITGA2BNAMPT
SCHEMBL7284310 0.91 NAMPT (0.41) LMNATSHRITGB3ITGA2BNAMPT
SCHEMBL7272971 0.91 NAMPT (0.41) LMNATSHRITGB3ITGA2BNAMPT
SCHEMBL7274533 0.90 TSHR (0.40) LMNATSHRITGB3ITGA2BNAMPT
Hydrochloric Acid SCHEMBL7283118 0.89 NAMPT (0.41) LMNATSHRITGB3ITGA2BNAMPT
SCHEMBL7274361 0.88 SIGMAR1 (0.41) LMNATSHRNAMPTL3MBTL1ALDH1A1
SCHEMBL7274292 0.88 MMP2 (0.41) LMNATSHRNAMPTALDH1A1SMN1; SMN2
SCHEMBL7274864 0.87 NAMPT (0.40) LMNATSHRITGB3ITGA2BNAMPT

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