SCHEMBL8416012

SCHEMBL8416012

NC1CCc2cc(N3CC(CCC(=O)O)N(c4ccccc4)C3=O)ccc21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
F10 P00742 1/20 0.35
OPRD1 P41143 4/20 0.33
FFAR4 Q5NUL3 1/20 0.33
PPARD Q03181 1/20 0.32
MTNR1A P48039 1/20 0.32
FFAR1 O14842 1/20 0.32
ANPEP P15144 4/20 0.32
IL1RN P18510 1/20 0.31
ERAP2 Q6P179 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31

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
SCHEMBL8413437 0.94 OPRD1 (0.40) PTGER3PTGER2OPRD1
SCHEMBL8417042 0.91 CTSG (0.35) PTGER2F10OPRD1MTNR1A
Hydrochloric Acid SCHEMBL8571507 0.90 CTSG (0.34) PTGER2F10OPRD1MTNR1A
SCHEMBL8415372 0.85 OPRD1 (0.39) OPRD1
Hydrochloric Acid SCHEMBL8576436 0.84 OPRD1 (0.39) OPRD1
SCHEMBL8575501 0.79 PTGER3 (0.35) PTGER3PTGER2FFAR4PPARD
SCHEMBL8573785 0.76 FFAR4 (0.39) PTGER3PTGER2OPRD1FFAR4FFAR1
SCHEMBL7283416 0.73 S1PR1 (0.42) F10OPRD1FFAR4PPARDFFAR1
Hydrochloric Acid SCHEMBL8573565 0.71 CTSG (0.39)
SCHEMBL8575472 0.70 PTGER3 (0.38) PTGER3PTGER2F10FFAR4PPARD

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