SCHEMBL4753142

SCHEMBL4753142

COc1cccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.68
ALDH1A1 P00352 4/20 0.64
USP2 O75604 3/20 0.64
LMNA P02545 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
CYP3A4 P08684 2/20 0.62
CYP2D6 P10635 2/20 0.62
CYP2C9 P11712 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.61
MAPT P10636 1/20 0.60
PKM P14618 1/20 0.58
HPGD P15428 1/20 0.58
CACNA2D1 P54289 3/20 0.58
CACNA1B Q00975 3/20 0.58
CACNB1 Q02641 3/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
CYP1A2 P05177 1/20 0.58
TSHR P16473 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL7329517 0.87 MEN1 (0.65) MAOBALDH1A1USP2LMNANPSR1
SCHEMBL27406495 0.86 ALDH1A1 (0.66) MAOBALDH1A1USP2LMNANPSR1
SCHEMBL31351172 0.86 ALDH1A1 (0.66) MAOBALDH1A1USP2LMNANPSR1
SCHEMBL4750736 0.86 USP2 (0.81) MAOBALDH1A1USP2LMNANPSR1
SCHEMBL14427604 0.85 ALDH1A1 (0.63) ALDH1A1LMNAL3MBTL1PKMHPGD
SCHEMBL27405224 0.84 MAOB (0.60) MAOBALDH1A1USP2LMNANPSR1
SCHEMBL13503924 0.84 ALDH1A1 (0.69) ALDH1A1L3MBTL1PKMHPGDMEN1
SCHEMBL4754213 0.83 MAOB (0.74) MAOBALDH1A1USP2NPSR1CYP3A4
SCHEMBL4753324 0.82 MAOB (0.64) MAOBALDH1A1USP2LMNACYP3A4
SCHEMBL31350986 0.82 MAOB (1.00) MAOBALDH1A1USP2NPSR1CYP2D6

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-2008147864-A2 METHODS OF USING PIPERAZINE COMPOUNDS IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-12-04 WO claimed
WO-2008147864-A2 METHODS OF USING PIPERAZINE COMPOUNDS IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-12-04 WO disclosed