SCHEMBL7283550

SCHEMBL7283550

N=C(N)NCCCCCCCC(=O)NC[C@@H]1CN(CCCc2ccccc2)C(=O)[C@H]1CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.40
TRPV1 Q8NER1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38
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
NCOR2 Q9Y618 1/20 0.37
F13A1 P00488 1/20 0.37

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
SCHEMBL7281050 1.00 NAMPT (0.41) NAMPTLMNATSHRPOLBTRPV1
SCHEMBL7282882 0.96 POLB (0.41) NAMPTLMNATSHRPOLBL3MBTL1
Hydrochloric Acid SCHEMBL8882333 0.88 POLB (0.42) NAMPTPOLBSIRT5HDAC3HDAC1
Hydrochloric Acid SCHEMBL7283160 0.88 POLB (0.42) NAMPTPOLBSIRT5HDAC3HDAC1
SCHEMBL7283106 0.85 SIGMAR1 (0.51) NAMPTLMNATSHRPOLBHDAC3
SCHEMBL7273086 0.85 SIGMAR1 (0.51) NAMPTLMNATSHRPOLBHDAC3
Trifluoroacetic Acid SCHEMBL8881152 0.82 SIGMAR1 (0.40) POLBSIRT5HDAC3HDAC1HDAC2
SCHEMBL7284160 0.81 SIGMAR1 (0.54) LMNATSHRPOLBSIRT5HDAC3
SCHEMBL7272690 0.79 NAMPT (0.41) NAMPTLMNATSHRTRPV1L3MBTL1
SCHEMBL7284310 0.79 NAMPT (0.41) NAMPTLMNATSHRTRPV1L3MBTL1

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