SCHEMBL5243013

SCHEMBL5243013

COc1cc(N2CCN(CCc3ccc(OCC4CC4)c(C)c3C)CC2)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.43
▸ HTR7 P34969 2/20 0.43
▸ TP53BP1 Q12888 1/20 0.42
▸ L3MBTL3 Q96JM7 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SUV39H2 Q9H5I1 2/20 0.41
▸ CCR1 P32246 7/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ADRA1D P25100 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADRA1B P35368 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.38
▸ PDE4B Q07343 1/20 0.38

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
SCHEMBL5183561 0.89 LMNA (0.52) HTR7TP53BP1L3MBTL3L3MBTL1LMNA
SCHEMBL5241842 0.86 LMNA (0.43) LMNAMAPTSUV39H2CCR1MEN1
SCHEMBL5244297 0.86 F10 (0.41) HTR1AHTR7LMNAMAPTCCR1
SCHEMBL5242970 0.85 LMNA (0.43) HTR1AHTR7LMNAMAPTCCR1
SCHEMBL5242204 0.85 LMNA (0.42) LMNAMAPTSUV39H2CCR1MEN1
SCHEMBL5245094 0.83 SUV39H2 (0.44) LMNAMAPTSUV39H2
SCHEMBL5244935 0.83 LMNA (0.41) HTR1AHTR7LMNAMAPTCCR1
SCHEMBL5242275 0.82 LMNA (0.40) HTR1AHTR7LMNAMAPTCCR1
SCHEMBL5240767 0.82 SUV39H2 (0.42) LMNAMAPTSUV39H2CCR1
SCHEMBL5242277 0.81 BRD4 (0.40) HTR1AHTR7LMNAMAPTCCR1

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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