SCHEMBL3705464

SCHEMBL3705464

c1ccc2c(CN3CCC(N4CCN(Cc5ccnc6ccccc56)CC4)CC3)ccnc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.63
▸ KDM4E B2RXH2 2/20 0.63
▸ LMNA P02545 1/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ NPSR1 Q6W5P4 1/20 0.63
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ RAD52 P43351 1/20 0.54
▸ FAAH O00519 1/20 0.53
▸ OPRM1 P35372 1/20 0.48
▸ TP53 P04637 1/20 0.47
▸ TSHR P16473 2/20 0.47
▸ RECQL P46063 1/20 0.47
▸ TRPV6 Q9H1D0 2/20 0.45
▸ HRH1 P35367 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45
▸ HSD11B1 P28845 1/20 0.44
▸ LOXL2 Q9Y4K0 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ DRD4 P21917 1/20 0.43
▸ DRD3 P35462 1/20 0.43

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
SCHEMBL3709108 0.94 SMN1; SMN2 (0.60) ALDH1A1KDM4ELMNASMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL3718164 0.93 SMN1; SMN2 (0.58) ALDH1A1KDM4ELMNASMN1; SMN2NPSR1
SCHEMBL3706529 0.90 ALDH1A1 (0.57) ALDH1A1KDM4ELMNASMN1; SMN2NPSR1
SCHEMBL13283963 0.89 KDM4E (0.51) ALDH1A1KDM4ELMNASMN1; SMN2NPSR1
SCHEMBL8821312 0.83 KDM4E (0.62) ALDH1A1KDM4ELMNASMN1; SMN2NPSR1
SCHEMBL14375211 0.83 ACHE (0.62) ALDH1A1KDM4ELMNASMN1; SMN2NPSR1
SCHEMBL3709485 0.82 FAAH (0.50) ALDH1A1KDM4ELMNASMN1; SMN2NPSR1
SCHEMBL3707708 0.81 TSHR (0.51) ALDH1A1KDM4ELMNASMN1; SMN2NPSR1
SCHEMBL3707768 0.81 TSHR (0.51) ALDH1A1KDM4ELMNASMN1; SMN2NPSR1
SCHEMBL23507365 0.81 KDM4E (0.70) ALDH1A1KDM4ELMNASMN1; SMN2NPSR1

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
WO-2010081851-A1 PIPERIDIN-4-YLPIPERAZINE COMPOUNDS FOR THE TREATMENT OF HCV INFECTION GENOSCIENCE PHARMA (FR) 2010-07-22 — — WO claimed
WO-2010081851-A1 PIPERIDIN-4-YLPIPERAZINE COMPOUNDS FOR THE TREATMENT OF HCV INFECTION GENOSCIENCE PHARMA (FR) 2010-07-22 — — WO disclosed
WO-2010081851-A1 PIPERIDIN-4-YLPIPERAZINE COMPOUNDS FOR THE TREATMENT OF HCV INFECTION GENOSCIENCE PHARMA (FR) 2010-07-22 — — WO disclosed
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