SCHEMBL7274533

SCHEMBL7274533

N=C(N)NCCCC(=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
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 3/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
NAMPT P43490 3/20 0.37
LTA4H P09960 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
F13A1 P00488 1/20 0.36
F2 P00734 2/20 0.36
MTNR1A P48039 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
SIGMAR1 Q99720 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
SCHEMBL7274469 0.97 LMNA (0.42) TSHRLMNAL3MBTL1ALDH1A1ITGB3
SCHEMBL7272971 0.96 NAMPT (0.41) TSHRLMNAL3MBTL1ALDH1A1ITGB3
SCHEMBL7284310 0.96 NAMPT (0.41) TSHRLMNAL3MBTL1ALDH1A1ITGB3
SCHEMBL7272690 0.96 NAMPT (0.41) TSHRLMNAL3MBTL1ALDH1A1ITGB3
Hydrochloric Acid SCHEMBL7281517 0.94 L3MBTL1 (0.38) TSHRLMNAL3MBTL1ALDH1A1NAMPT
SCHEMBL7274864 0.92 NAMPT (0.40) TSHRLMNAL3MBTL1ALDH1A1ITGB3
SCHEMBL7276721 0.91 TRPV1 (0.43) LMNAALDH1A1F2SMN1; SMN2
Hydrochloric Acid SCHEMBL7284063 0.91 SIGMAR1 (0.36) TSHRLMNAL3MBTL1ALDH1A1LTA4H
Hydrochloric Acid SCHEMBL7283118 0.91 NAMPT (0.41) TSHRLMNAL3MBTL1ALDH1A1ITGB3
SCHEMBL7280925 0.90 LMNA (0.43) TSHRLMNAL3MBTL1ALDH1A1ITGB3

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