SCHEMBL5240767

SCHEMBL5240767

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SUV39H2 Q9H5I1 2/20 0.42
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CCR1 P32246 5/20 0.40
▸ ABCB1 P08183 2/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ DRD3 P35462 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
SCHEMBL5242204 0.90 LMNA (0.42) SUV39H2LMNAMAPTCCR1
SCHEMBL5242970 0.89 LMNA (0.43) LMNAMAPTCCR1ABCB1HTR2A
SCHEMBL5241842 0.88 LMNA (0.43) SUV39H2LMNAMAPTCCR1ABCB1
SCHEMBL5183561 0.86 LMNA (0.52) LMNAMAPTCCR1
SCHEMBL5244935 0.86 LMNA (0.41) LMNAMAPTCCR1ABCB1HTR2A
SCHEMBL5245094 0.86 SUV39H2 (0.44) SUV39H2LMNAMAPTHTR2AHTR2C
SCHEMBL5243314 0.86 LMNA (0.39) LMNAMAPTCCR1ABCB1HTR2A
SCHEMBL5242275 0.85 LMNA (0.40) LMNAMAPTCCR1ABCB1HTR2A
SCHEMBL5242277 0.85 BRD4 (0.40) LMNAMAPTCCR1ABCB1HTR2A
SCHEMBL5243013 0.82 HTR1A (0.43) SUV39H2LMNAMAPTCCR1

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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