SCHEMBL5243868

SCHEMBL5243868

COCCOc1ccc(CCN2CCN(c3ccc(C)c(OC)c3)CC2)c(C)c1C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ HTR1A P08908 5/20 0.41
▸ DRD2 P14416 2/20 0.41
▸ HTR2A P28223 2/20 0.41
▸ HTR7 P34969 2/20 0.41
▸ ADRA1A P35348 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALOX15 P16050 2/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL5241842 0.90 LMNA (0.43) LMNAMAPTDRD2HTR2AMEN1
SCHEMBL5244012 0.87 LMNA (0.41) LMNAMAPTHTR1ADRD2HTR2A
SCHEMBL5242687 0.85 LMNA (0.43) LMNAMAPTHTR1AMEN1KMT2A
SCHEMBL6628361 0.83 LMNA (0.56) LMNAMAPTHTR1ADRD2HTR2A
SCHEMBL6625036 0.82 LMNA (0.55) LMNAMAPTHTR1ADRD2HTR2A
SCHEMBL5242970 0.81 LMNA (0.43) LMNAMAPTHTR1ADRD2HTR2A
SCHEMBL5242930 0.81 HTR1A (0.43) HTR1ADRD2
SCHEMBL5183561 0.79 LMNA (0.52) LMNAMAPTHTR7MEN1KMT2A
SCHEMBL5244935 0.79 LMNA (0.41) LMNAMAPTHTR1ADRD2HTR2A
SCHEMBL5245094 0.79 SUV39H2 (0.44) LMNAMAPTHTR2A

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
EP-1756107-A2 ARYL-SUBSTITUTED PIPERAZINE DERIVATIVES NEUROGEN CORPORATION (US) 2007-02-28 — — EP claimed
WO-2006009789-A2 ARYL-SUBSTITUTED PIPERAZINE DERIVATIVES NEUROGEN CORPORATION (US) 2006-01-26 — — WO claimed
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