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SCHEMBL4746668

SCHEMBL4746668

CC(C)NC(=O)C(C(C(=O)NC(C)C)N1CCN(CCCCCN(C)c2ccc(C(=O)c3ccc(Cl)cc3)cc2)CC1)N1CCN(CCCCCNc2ccc(C(=O)c3ccc(Cl)cc3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 10/20 0.40
▸ DRD4 P21917 9/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.39
▸ PSEN1 P49768 2/20 0.37
▸ PSEN2 P49810 2/20 0.37
▸ APH1B Q8WW43 2/20 0.37
▸ NCSTN Q92542 2/20 0.37
▸ APH1A Q96BI3 2/20 0.37
▸ PSENEN Q9NZ42 2/20 0.37
▸ CXCR3 P49682 1/20 0.37
▸ DRD3 P35462 4/20 0.36
▸ SLC2A1 P11166 1/20 0.35

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
SCHEMBL4747505 0.81 MAPT (0.42) DRD2DRD4HRH3PSEN1PSEN2
SCHEMBL4745396 0.79 HRH3 (0.46) DRD2DRD4HRH3DRD3
SCHEMBL4747605 0.73 HRH3 (0.39) DRD2HRH3
SCHEMBL4743100 0.70 PSEN1 (0.41) DRD2DRD4HRH3PSEN1PSEN2
SCHEMBL4743109 0.69 HRH3 (0.46) DRD2HRH3
SCHEMBL4746765 0.68 HRH3 (0.48) DRD2HRH3
SCHEMBL4747585 0.66 DRD2 (0.44) DRD2DRD4HRH3DRD3
SCHEMBL4744712 0.66 ALOX5 (0.41) HRH3PSEN1PSEN2APH1BNCSTN
SCHEMBL4745354 0.66 HRH3 (0.37) HRH3PSEN1PSEN2APH1BNCSTN
SCHEMBL4743111 0.64 HRH3 (0.56) HRH3

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