SCHEMBL7413376

SCHEMBL7413376

CCOC(=O)C1(c2ccccc2)CCCCC1N1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.52
OPRD1 P41143 4/20 0.52
OPRK1 P41145 4/20 0.52
KDM4E B2RXH2 1/20 0.50
SLC22A1 O15245 2/20 0.49
SLC6A4 P31645 1/20 0.49
ADRA1A P35348 1/20 0.49
KCNH2 Q12809 1/20 0.49
KCNA3 P22001 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47

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 SCHEMBL9638087 0.94 OPRM1 (0.53) OPRM1OPRD1OPRK1KDM4ESLC22A1
Hydrochloric Acid SCHEMBL8320648 0.92 OPRM1 (0.55) OPRM1OPRD1OPRK1KDM4ESLC22A1
Hydrochloric Acid SCHEMBL8318722 0.76 OPRM1 (0.48) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL8320764 0.75 SLC22A1 (0.50) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL29204727 0.74 SLC22A1 (0.54) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Metethoheptazine SCHEMBL2107884 0.74 OPRM1 (0.55) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL10831085 0.73 HTR2C (0.61) OPRM1OPRD1OPRK1
SCHEMBL4813929 0.73 SLC22A1 (0.50) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL10831101 0.72 HTR2C (0.60) OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL10830523 0.72 HTR2C (0.60) OPRM1OPRD1OPRK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5223530-A Selective high-affinity ligands for treatment of psychological disorders, side effect reduction SRI, INTERNATIONAL (US) 1993-06-29 US claimed