SCHEMBL7281972

SCHEMBL7281972

C=CC[C@@H]1C[C@@H](CNC(=O)CCc2ccc(NC(=O)OC(C)(C)C)cc2)N(CCCc2ccccc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.43
DRD2 P14416 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NAMPT P43490 2/20 0.39
LTA4H P09960 1/20 0.38
GLS O94925 1/20 0.38
NPY1R P25929 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
SCHEMBL7282148 0.97 SIGMAR1 (0.43) SIGMAR1DRD2ALDH1A1MEN1KMT2A
SCHEMBL7283356 0.93 SIGMAR1 (0.41) SIGMAR1DRD2ALDH1A1MEN1KMT2A
SCHEMBL7275568 0.92 SIGMAR1 (0.46) SIGMAR1DRD2ALDH1A1CYP3A4NAMPT
SCHEMBL7275472 0.90 SIGMAR1 (0.41) SIGMAR1DRD2ALDH1A1MEN1KMT2A
SCHEMBL7284620 0.90 SIGMAR1 (0.43) SIGMAR1DRD2ALDH1A1MEN1KMT2A
SCHEMBL7275906 0.84 SIGMAR1 (0.46) SIGMAR1DRD2MAPTCYP3A4NPSR1
SCHEMBL7273013 0.83 NPY1R (0.42) SIGMAR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL7304783 0.83 SIGMAR1 (0.39) SIGMAR1DRD2ALDH1A1LMNAFAAH
SCHEMBL7273654 0.83 SIGMAR1 (0.44) SIGMAR1DRD2SMN1; SMN2NAMPTFAAH
SCHEMBL7276712 0.82 SIGMAR1 (0.48) SIGMAR1MEN1KMT2AMAPTCYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
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