SCHEMBL5242930

SCHEMBL5242930

COCCOc1ccc(CCN2CCN(c3ccc4c(c3)OCC4)CC2)c(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 12/20 0.43
▸ SLC6A4 P31645 12/20 0.43
▸ P2RY12 Q9H244 2/20 0.39
▸ DRD2 P14416 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
SCHEMBL5243868 0.81 LMNA (0.45) HTR1ADRD2
SCHEMBL5905159 0.80 OGA (0.39) HTR1ASLC6A4P2RY12
SCHEMBL5241842 0.79 LMNA (0.43) DRD2
SCHEMBL5244012 0.77 LMNA (0.41) HTR1ADRD2
SCHEMBL5242687 0.74 LMNA (0.43) HTR1A
SCHEMBL6628361 0.74 LMNA (0.56) HTR1ADRD2
SCHEMBL6625036 0.71 LMNA (0.55) HTR1ADRD2
SCHEMBL5242970 0.70 LMNA (0.43) HTR1ADRD2
SCHEMBL4780781 0.70 HTR2A (0.40) HTR1ASLC6A4P2RY12
SCHEMBL27357405 0.69 HTR1A (0.59) HTR1A

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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