SCHEMBL8413437

SCHEMBL8413437

NC1CCCc2cc(N3CC(CCC(=O)O)N(c4ccccc4)C3=O)ccc21

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 6/20 0.40
HTR6 P50406 1/20 0.35
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
KDM4C Q9H3R0 4/20 0.33

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
SCHEMBL8416012 0.94 PTGER3 (0.35) OPRD1PTGER3PTGER2
SCHEMBL8415372 0.91 OPRD1 (0.39) OPRD1KDM4C
Hydrochloric Acid SCHEMBL8576436 0.90 OPRD1 (0.39) OPRD1KDM4C
SCHEMBL8417042 0.85 CTSG (0.35) OPRD1PTGER2
Hydrochloric Acid SCHEMBL8571507 0.84 CTSG (0.34) OPRD1PTGER2
SCHEMBL8575501 0.77 PTGER3 (0.35) PTGER3PTGER2
SCHEMBL7273197 0.74 OPRD1 (0.42) OPRD1
SCHEMBL8573785 0.74 FFAR4 (0.39) OPRD1PTGER3PTGER2
Hydrochloric Acid SCHEMBL7420832 0.73 OPRD1 (0.41) OPRD1
SCHEMBL8520116 0.70 L3MBTL1 (0.33)

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-5880284-A HAVING ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASES-INHIBITING EFFECTS DR. KARL THOMAE GMBH (DE) 1999-03-09 US disclosed
US-5852192-A Cyclic urea derivatives, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1998-12-22 US disclosed
US-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 US disclosed