SCHEMBL5243314

SCHEMBL5243314

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ HTR7 P34969 1/20 0.38
▸ CCR1 P32246 5/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ ABCB1 P08183 2/20 0.37
▸ F10 P00742 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL5244935 0.90 LMNA (0.41) LMNAMAPTHTR2AHTR2CHTR2B
SCHEMBL5242275 0.89 LMNA (0.40) LMNAMAPTHTR2AHTR2CHTR2B
SCHEMBL5242277 0.89 BRD4 (0.40) LMNAMAPTHTR2AHTR2CHTR2B
SCHEMBL5242970 0.87 LMNA (0.43) LMNAMAPTHTR2AHTR2CHTR2B
SCHEMBL5241842 0.86 LMNA (0.43) LMNAMAPTHTR2AHTR2CHTR2B
SCHEMBL5240767 0.86 SUV39H2 (0.42) LMNAMAPTHTR2AHTR2CHTR2B
SCHEMBL5244297 0.85 F10 (0.41) LMNAMAPTHTR2AHTR2CHTR2B
SCHEMBL5183561 0.85 LMNA (0.52) LMNAMAPTHTR7CCR1MEN1
SCHEMBL5245094 0.85 SUV39H2 (0.44) LMNAMAPTHTR2AHTR2C
SCHEMBL5905619 0.82 CCR1 (0.39) CCR1HTR6MEN1KMT2A

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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