SCHEMBL8415372

SCHEMBL8415372

COC(=O)CCC1CN(c2ccc3c(c2)CCCC3N)C(=O)N1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 7/20 0.39
CTSG P08311 1/20 0.34
CMA1 P23946 1/20 0.34
KDM4C Q9H3R0 4/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 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
Hydrochloric Acid SCHEMBL8576436 0.99 OPRD1 (0.39) OPRD1CTSGCMA1KDM4COPRM1
SCHEMBL8417042 0.95 CTSG (0.35) OPRD1CTSGCMA1
Hydrochloric Acid SCHEMBL8571507 0.94 CTSG (0.34) OPRD1CTSGCMA1
SCHEMBL8413437 0.91 OPRD1 (0.40) OPRD1KDM4C
SCHEMBL8416012 0.85 PTGER3 (0.35) OPRD1
Hydrochloric Acid SCHEMBL8573565 0.81 CTSG (0.39) CTSGCMA1
SCHEMBL8520116 0.80 L3MBTL1 (0.33) CTSGCMA1
SCHEMBL8575092 0.79 CTSG (0.43) CTSGCMA1
Hydrochloric Acid SCHEMBL8575626 0.78 CTSG (0.42) CTSGCMA1
SCHEMBL8577383 0.78 MAPT (0.36) CTSGCMA1

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-5880284-A HAVING ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASES-INHIBITING EFFECTS DR. KARL THOMAE GMBH (DE) 1999-03-09 US disclosed
US-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 US disclosed