SCHEMBL8417042

SCHEMBL8417042

COC(=O)CCC1CN(c2ccc3c(c2)CCC3N)C(=O)N1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSG P08311 2/20 0.35
CMA1 P23946 2/20 0.35
F10 P00742 1/20 0.35
MTNR1A P48039 1/20 0.34
TBXA2R P21731 1/20 0.34
PTGER4 P35408 1/20 0.34
OPRD1 P41143 3/20 0.33
CACNA1G O43497 1/20 0.33
PTGER2 P43116 1/20 0.33
ACHE P22303 1/20 0.32

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 SCHEMBL8571507 0.99 CTSG (0.34) CTSGCMA1F10MTNR1ATBXA2R
SCHEMBL8415372 0.95 OPRD1 (0.39) CTSGCMA1OPRD1
Hydrochloric Acid SCHEMBL8576436 0.94 OPRD1 (0.39) CTSGCMA1OPRD1
SCHEMBL8416012 0.91 PTGER3 (0.35) F10MTNR1AOPRD1PTGER2
SCHEMBL8413437 0.85 OPRD1 (0.40) OPRD1PTGER2
Hydrochloric Acid SCHEMBL8573565 0.82 CTSG (0.39) CTSGCMA1
SCHEMBL8575092 0.80 CTSG (0.43) CTSGCMA1
Hydrochloric Acid SCHEMBL8575626 0.79 CTSG (0.42) CTSGCMA1
SCHEMBL8577383 0.79 MAPT (0.36) CTSGCMA1CACNA1G
SCHEMBL8575396 0.78 CTSG (0.36) CTSGCMA1CACNA1G

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