SCHEMBL11282136

SCHEMBL11282136

CCOC(=O)C1(c2ccccc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.80
OPRD1 P41143 6/20 0.80
OPRK1 P41145 6/20 0.80
KDM4E B2RXH2 1/20 0.77
NPSR1 Q6W5P4 1/20 0.77
KCNA3 P22001 2/20 0.74
SLC22A1 O15245 1/20 0.71
SLC6A4 P31645 1/20 0.71
ADRA1A P35348 1/20 0.71
KCNH2 Q12809 1/20 0.71
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
MEN1 O00255 1/20 0.63
LMNA P02545 1/20 0.63
KMT2A Q03164 1/20 0.63
TDP1 Q9NUW8 1/20 0.63

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
SCHEMBL17187971 0.92 OPRM1 (0.72) OPRM1OPRD1OPRK1KDM4ENPSR1
SCHEMBL11712071 0.89 OPRM1 (1.00) OPRM1OPRD1OPRK1KDM4ENPSR1
SCHEMBL701023 0.89 OPRM1 (0.63) OPRM1OPRD1OPRK1KDM4ENPSR1
SCHEMBL703650 0.89 KDM4E (0.69) OPRM1OPRD1OPRK1KDM4ENPSR1
SCHEMBL2789658 0.88 KDM4E (0.61) OPRM1OPRD1OPRK1KDM4ENPSR1
Pheneridine SCHEMBL1922392 0.87 KCNA3 (0.86) OPRM1OPRD1OPRK1KDM4ENPSR1
SCHEMBL6746046 0.86 KDM4E (0.60) OPRM1OPRD1OPRK1KDM4ENPSR1
SCHEMBL702418 0.86 KDM4E (0.66) OPRM1OPRD1OPRK1KDM4ENPSR1
SCHEMBL11599945 0.86 OPRM1 (0.78) OPRM1OPRD1OPRK1KCNA3SLC22A1
SCHEMBL11139480 0.85 OPRM1 (0.82) OPRM1OPRD1OPRK1KCNA3SLC22A1

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-4329345-A ANTIARRHYTHMIC AGENTS USV PHARMACEUTICAL CORPORATION (US) 1982-05-11 US disclosed