SCHEMBL3784411

SCHEMBL3784411

c1ccc(CN2CCN(C3CCN(c4ccncc4)CC3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 3/20 0.64
L3MBTL3 Q96JM7 3/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
KMT2A Q03164 1/20 0.57
DRD4 P21917 3/20 0.56
MAPT P10636 1/20 0.54
MBTD1 Q05BQ5 2/20 0.53
TP53BP1 Q12888 1/20 0.53
RECQL P46063 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TSHR P16473 1/20 0.51

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
Hydrochloric Acid SCHEMBL3788371 0.99 TRPV6 (0.63) TRPV6L3MBTL3L3MBTL1KDM4EMEN1
Hydrochloric Acid SCHEMBL3710266 0.93 MAPT (0.60) TRPV6L3MBTL3L3MBTL1KDM4EMEN1
SCHEMBL3711524 0.90 DRD4 (0.70) TRPV6L3MBTL3L3MBTL1ALDH1A1DRD4
Hydrochloric Acid SCHEMBL3793856 0.89 DRD4 (0.68) TRPV6L3MBTL3L3MBTL1ALDH1A1DRD4
SCHEMBL12261943 0.85 DRD4 (0.77) DRD4
SCHEMBL3712719 0.84 MAPT (0.74) L3MBTL3L3MBTL1ALDH1A1KMT2ADRD4
SCHEMBL3716319 0.84 L3MBTL1 (0.67) L3MBTL3L3MBTL1KDM4EALDH1A1DRD4
Hydrochloric Acid SCHEMBL3706847 0.83 MAPT (0.72) L3MBTL3L3MBTL1ALDH1A1KMT2ADRD4
Hydrochloric Acid SCHEMBL3716101 0.83 L3MBTL1 (0.65) L3MBTL3L3MBTL1KDM4EALDH1A1DRD4
SCHEMBL3709310 0.82 RECQL (0.70) TRPV6KDM4EALDH1A1DRD4RECQL

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
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