SCHEMBL27554696

SCHEMBL27554696

Clc1ccc(CN2CCN(c3nc(N4CCN(Cc5ccc(Cl)cc5)CC4)c4ccccc4n3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.64
ALDH1A1 P00352 6/20 0.64
MAPT P10636 4/20 0.64
HPGD P15428 3/20 0.64
LMNA P02545 2/20 0.64
ACHE P22303 2/20 0.62
L3MBTL1 Q9Y468 3/20 0.58
TSHR P16473 2/20 0.58
GLA P06280 2/20 0.58
GAA P10253 2/20 0.58
HSD17B10 Q99714 1/20 0.58
NPSR1 Q6W5P4 2/20 0.57
MAPK1 P28482 2/20 0.57
HTT P42858 1/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
TDP1 Q9NUW8 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HIF1A Q16665 1/20 0.56
SIGMAR1 Q99720 1/20 0.55

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
SCHEMBL5320344 0.81 KDM4E (0.65) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL3641129 0.80 L3MBTL1 (0.74) KDM4EALDH1A1HPGDLMNAL3MBTL1
SCHEMBL3640898 0.79 L3MBTL1 (0.72) KDM4EALDH1A1HPGDLMNAL3MBTL1
SCHEMBL6234151 0.78 MEN1 (0.62) KDM4EALDH1A1MAPTLMNAACHE
SCHEMBL1083795 0.77 HTR3A (0.68) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL14585637 0.77 LMNA (0.57) KDM4EALDH1A1MAPTHPGDLMNA
Hydrochloric Acid SCHEMBL6230920 0.77 MEN1 (0.60) KDM4EALDH1A1MAPTLMNAACHE
SCHEMBL14262907 0.76 LMNA (1.00) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL6231748 0.76 HRH4 (0.58) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL30454930 0.76 L3MBTL1 (0.97) KDM4EALDH1A1MAPTHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1283195-A 1-(2-naphthyl) and 1(2-azanaphthyl)-4-(1-phenylmethyl)piperazines being dopamine D4 receptor subtype ligands NEUROGEN CORP (US) 2001-02-07 CN disclosed