SCHEMBL9251758

SCHEMBL9251758

COC(=O)CCNC(=O)c1ccc2c(c1)nc(-c1ccc(C(=N)N)cc1)n2CCCN1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 6/20 0.56
TSHR P16473 2/20 0.49
USP2 O75604 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
HPGD P15428 1/20 0.45
CD274 Q9NZQ7 1/20 0.44
POLB P06746 1/20 0.43
PIK3CA P42336 1/20 0.43
MAPK14 Q16539 1/20 0.43

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
SCHEMBL9255435 0.91 PTGER4 (0.52) PTGER4TSHRUSP2HTTHSD17B10
SCHEMBL8863337 0.91 PTGER4 (0.47) PTGER4
Hydrochloric Acid SCHEMBL9245428 0.90 PTGER4 (0.47) PTGER4
SCHEMBL9255102 0.90 PTGER4 (0.47) PTGER4
SCHEMBL9255099 0.90 PTGER4 (0.47) PTGER4TSHRUSP2HTTHSD17B10
SCHEMBL9256921 0.90 PTGER4 (0.56) PTGER4KMT2AMEN1
Hydrochloric Acid SCHEMBL9248958 0.89 PTGER4 (0.46) PTGER4
SCHEMBL9251533 0.89 PTGER4 (0.51) PTGER4TSHRUSP2HTTHSD17B10
SCHEMBL9255240 0.89 PTGER4 (0.55) PTGER4KMT2AMEN1
Hydrochloric Acid SCHEMBL9247706 0.89 PTGER4 (0.46) PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5434150-A Anticoagulants, cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1995-07-18 US disclosed
EP-0531883-A1 Condensed 5-membered ring heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-03-17 EP disclosed