SCHEMBL5242204

SCHEMBL5242204

COc1cc(N2CCN(CCc3ccc(OCC#N)c(C)c3C)CC2)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CCR1 P32246 7/20 0.41
▸ SUV39H2 Q9H5I1 3/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KCNJ1 P48048 1/20 0.38
▸ KCNH2 Q12809 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
SCHEMBL5240767 0.90 SUV39H2 (0.42) LMNAMAPTCCR1SUV39H2
SCHEMBL5183561 0.89 LMNA (0.52) LMNAMAPTCCR1MEN1KMT2A
SCHEMBL5241842 0.86 LMNA (0.43) LMNAMAPTCCR1SUV39H2MEN1
SCHEMBL5242970 0.85 LMNA (0.43) LMNAMAPTCCR1
SCHEMBL5243013 0.85 HTR1A (0.43) LMNAMAPTCCR1SUV39H2MEN1
SCHEMBL5245094 0.83 SUV39H2 (0.44) LMNAMAPTSUV39H2
SCHEMBL5244935 0.83 LMNA (0.41) LMNAMAPTCCR1
SCHEMBL5242275 0.82 LMNA (0.40) LMNAMAPTCCR1
SCHEMBL5242277 0.81 BRD4 (0.40) LMNAMAPTCCR1
SCHEMBL5183909 0.81 LMNA (0.51) LMNAMAPTMEN1KMT2AKCNH2

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
Send feedback