SCHEMBL13448648

SCHEMBL13448648

C/C=C(/C)OC(=O)N(Cc1ccc2c(Cc3ccccc3)nn(CCCOC)c2c1)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 13/20 0.45
▸ HRH1 P35367 6/20 0.35
▸ KCNH2 Q12809 4/20 0.35
▸ ADRA1A P35348 3/20 0.35
▸ ADRA1B P35368 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ HRH2 P25021 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.34
▸ ITK Q08881 1/20 0.34

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
SCHEMBL2833986 0.88 REN (0.51) RENHRH1KCNH2ADRA1AADRA1B
SCHEMBL13132277 0.87 REN (0.46) RENHRH1KCNH2ADRA1AADRA1B
SCHEMBL18509079 0.81 REN (0.40) RENHRH1KCNH2ADRA1AADRA1B
SCHEMBL2834678 0.80 REN (0.49) RENHRH1ADRA1AADRA1B
SCHEMBL18509080 0.80 HSD11B1 (0.39) RENHRH1ADRA1AADRA1BCYP3A4
SCHEMBL13131580 0.79 REN (0.74) REN
SCHEMBL13448686 0.76 SLC22A12 (0.35) RENITK
SCHEMBL13132696 0.75 REN (0.51) REN
SCHEMBL2808527 0.75 REN (0.46) RENITK
SCHEMBL13132383 0.74 HRH1 (0.38) RENHRH1KCNH2ADRA1AADRA1B

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
EP-2168952-A1 MORPHOLINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 — — EP disclosed
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