SCHEMBL3871229

SCHEMBL3871229

CC(=O)C(c1ccccc1)(c1ccccc1)N1CCN(c2ccc(C)c(C)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ TSHR P16473 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ ADRB1 P08588 1/20 0.43
▸ HTT P42858 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ GFER P55789 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ DRD4 P21917 3/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ ME2 P23368 1/20 0.38
▸ ME1 P48163 1/20 0.38
▸ ME3 Q16798 1/20 0.38
▸ HTR1A P08908 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
SCHEMBL5027734 0.82 USP2 (0.50) MAPTALDH1A1TSHRGAASMN1; SMN2
SCHEMBL3864015 0.79 MEN1 (0.41) MAPTSMN1; SMN2LMNAHPGDMEN1
SCHEMBL2021224 0.72 MAPT (0.66) MAPTALDH1A1TSHRGAAADRB1
SCHEMBL13153256 0.72 ADRB1 (0.58) MAPTALDH1A1TSHRGAAADRB1
SCHEMBL5026280 0.72 HRH3 (0.44) ALDH1A1KMT2A
SCHEMBL3861148 0.70 DRD2 (0.54) ADRB1DRD4HTR1AHTR2ADRD2
SCHEMBL5026265 0.70 KMT2A (0.59) MAPTALDH1A1NPSR1HPGDMEN1
SCHEMBL3794406 0.69 CNR1 (0.52) MAPTALDH1A1TSHRGAAHTT
SCHEMBL5011800 0.69 MAPT (0.54) MAPTALDH1A1TSHRGAAADRB1
SCHEMBL1423108 0.68 MAPT (0.64) MAPTALDH1A1TSHRGAAADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670775-A4 PIPERAZINE SUBTITUTED COMPOUNDS USED AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD (CA) 2009-04-22 — — EP claimed
JP-2007504174-A — — 2007-03-01 — — JP claimed
EP-1670775-A1 PIPERAZINE SUBTITUTED COMPOUNDS USED AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2006-06-21 — — EP claimed
WO-2005021523-A1 PIPERAZINE SUBSTITUTED COMPOUNDS USED AS CALCIUM CHANNEL BLOCKERS NEUROMED TECHNOLOGIES, INC. (CA) 2005-03-10 — — WO claimed
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