SCHEMBL7367152

SCHEMBL7367152

CCOC(=O)CN1CCN(C(=O)C(CC(=O)N2CCN(c3ccncc3)CC2)Cc2ccc(OC)cc2)[C@@H](CC(=O)OC)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.38
GAA P10253 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 5/20 0.37
HSD17B10 Q99714 3/20 0.37
TSHR P16473 2/20 0.37
PKM P14618 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
TP53 P04637 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
P2RX7 Q99572 1/20 0.35
MC4R P32245 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 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
SCHEMBL7367151 1.00 GFER (0.38) GFERGAAALDH1A1MAPTHSD17B10
SCHEMBL7365503 0.93 ITGB3 (0.44) GFERGAAALDH1A1MAPTHSD17B10
SCHEMBL7933354 0.93 ITGB3 (0.44) GFERGAAALDH1A1MAPTHSD17B10
SCHEMBL7365953 0.82 ITGB3 (0.43) GFERGAAALDH1A1MAPTHSD17B10
SCHEMBL7365958 0.82 ITGB3 (0.43) GFERGAAALDH1A1MAPTHSD17B10
SCHEMBL7365965 0.82 ITGB3 (0.43) GFERGAAALDH1A1MAPTHSD17B10
Trifluoroacetic Acid SCHEMBL7924758 0.80 ITGB3 (0.40) GFERGAAALDH1A1MAPTHSD17B10
Trifluoroacetic Acid SCHEMBL7369430 0.80 ITGB3 (0.40) GFERGAAALDH1A1MAPTHSD17B10
Hydrochloric Acid SCHEMBL7371043 0.78 ITGB3 (0.47) GFERGAAALDH1A1MAPTHSD17B10
Hydrochloric Acid SCHEMBL7924888 0.78 ITGB3 (0.47) GFERGAAALDH1A1MAPTHSD17B10

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-6242600-B1 ANTIISCHEMIC AGENTS, ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-05 US disclosed
EP-0970071-A1 2-PEPERAZINONE-1-ACETIC ACID DERIVATIVES AND THEIR USE Takeda Chemical Industries, Ltd. (JP) 2000-01-12 EP disclosed
WO-1998039324-A1 2-PEPERAZINONE-1-ACETIC ACID DERIVATIVES AND THEIR USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-11 WO disclosed