SCHEMBL5184351

SCHEMBL5184351

Cc1ccc(CCN2CCN(C(=O)c3ccc(Cl)cc3)CC2)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ THRB P10828 1/20 0.55
▸ KMT2A Q03164 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KCNA5 P22460 4/20 0.52
▸ ACHE P22303 1/20 0.52
▸ POLB P06746 1/20 0.51
▸ KCNH2 Q12809 1/20 0.50
▸ DRD2 P14416 2/20 0.49
▸ DRD3 P35462 2/20 0.49
▸ LSS P48449 1/20 0.46
▸ GPR183 P32249 1/20 0.46
▸ LDHA P00338 1/20 0.46

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
SCHEMBL6622388 0.86 DRD2 (0.54) KDM4EALDH1A1MAPTTHRBKMT2A
SCHEMBL6625191 0.81 KDM4E (0.59) KDM4EALDH1A1MAPTTHRBKMT2A
SCHEMBL6624933 0.76 DRD2 (0.56) KDM4EALDH1A1MAPTTHRBKMT2A
SCHEMBL9513241 0.76 THRB (0.82) KDM4EALDH1A1MAPTTHRBKMT2A
SCHEMBL9512997 0.76 THRB (0.73) KDM4EALDH1A1MAPTTHRBKMT2A
SCHEMBL11169556 0.74 KMT2A (0.61) KDM4EALDH1A1MAPTTHRBKMT2A
SCHEMBL5084416 0.74 CHRNA7 (0.54) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL10898714 0.73 THRB (0.73) KDM4EALDH1A1MAPTTHRBKMT2A
SCHEMBL5240284 0.73 KCNA5 (0.55) KDM4EALDH1A1MAPTTHRBKMT2A
SCHEMBL5242494 0.73 KCNA5 (0.55) KDM4EALDH1A1MAPTTHRBKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1729762-A4 COMBINATION THERAPY FOR WEIGHT MANAGEMENT NEUROGEN CORP (US) 2007-12-19 — — EP disclosed
EP-1729762-A2 COMBINATION THERAPY FOR WEIGHT MANAGEMENT NEUROGEN CORPORATION (US) 2006-12-13 — — EP disclosed
WO-2005094305-A2 COMBINATION THERAPY FOR WEIGHT MANAGEMENT NEUROGEN CORPORATION (US) 2005-10-13 — — WO disclosed
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