SCHEMBL8417138

SCHEMBL8417138

CCOC(=O)CCC1(c2ccccc2)CNC(=O)N1CCC1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.39
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
OPRL1 P41146 1/20 0.35
ALDH1A1 P00352 1/20 0.35
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
SLC22A1 O15245 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
KCNH2 Q12809 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
SMN1; SMN2 Q16637 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 SCHEMBL8876141 0.99 OPRM1 (0.38) OPRM1MAPTPKMOPRL1ALDH1A1
Hydrochloric Acid SCHEMBL8414026 0.90 OPRM1 (0.36) OPRM1OPRL1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8417105 0.84 ALDH1A1 (0.40) MAPTALDH1A1ITGB3ITGA2B
SCHEMBL8417100 0.81 ADRA2A (0.32) OPRM1ITGB3ITGA2B
Methylene Chloride SCHEMBL8413654 0.79 ADRA2A (0.31) OPRM1ITGB3ITGA2B
SCHEMBL8417113 0.78 POLB (0.35) ALDH1A1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8417091 0.78 ITGB3 (0.34) OPRM1ITGB3ITGA2B
SCHEMBL8413438 0.77 TSHR (0.36) OPRM1OPRL1
Hydrochloric Acid SCHEMBL8415352 0.77 POLB (0.34) ALDH1A1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8413914 0.73 ITGB3 (0.48) SLC6A4ITGB3ITGA2B

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