SCHEMBL4747505

SCHEMBL4747505

CC(C)NC(=O)CN1CCN(CCCCCN(C)c2ccc(C(=O)c3ccc(Cl)cc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
PSEN1 P49768 3/20 0.42
PSEN2 P49810 3/20 0.42
APH1B Q8WW43 3/20 0.42
NCSTN Q92542 3/20 0.42
APH1A Q96BI3 3/20 0.42
PSENEN Q9NZ42 3/20 0.42
ALDH1A1 P00352 2/20 0.41
CXCR3 P49682 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
HRH3 Q9Y5N1 4/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
CHRM1 P11229 1/20 0.39
HTR2A P28223 1/20 0.39
MCHR1 Q99705 1/20 0.39
HTR7 P34969 3/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 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
SCHEMBL4743100 0.89 PSEN1 (0.41) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL4743111 0.82 HRH3 (0.56) HRH3HRH1
SCHEMBL4743288 0.82 HRH3 (0.56) HRH3HRH1
SCHEMBL4745396 0.82 HRH3 (0.46) MAPTALDH1A1DRD2DRD4HRH3
SCHEMBL4743293 0.81 MEN1 (0.56) ALDH1A1DRD2HRH3HRH1
SCHEMBL4746668 0.81 DRD2 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4747585 0.80 DRD2 (0.44) ALDH1A1DRD2DRD4HRH3NOS3
SCHEMBL4744714 0.79 AVPR1B (0.46) HRH3HRH1SMN1; SMN2
SCHEMBL4746674 0.78 AVPR1B (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4747599 0.78 HRH3 (0.40) HRH3HRH1

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-2008107320-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS CEREP (FR) 2008-09-12 WO claimed
WO-2008107320-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS CEREP (FR) 2008-09-12 WO disclosed