SCHEMBL4743102

SCHEMBL4743102

O=[N+]([O-])c1ccc(OCCCCCBr)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.60
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55
DRD3 P35462 1/20 0.55
KCNH2 Q12809 4/20 0.55
MAPT P10636 4/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
LMNA P02545 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
GAA P10253 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL28180977 1.00 HRH3 (0.60) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL17971426 1.00 HRH3 (0.60) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL28180989 1.00 HRH3 (0.60) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL28180976 1.00 HRH3 (0.60) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL28180194 1.00 HRH3 (0.60) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL4937120 0.98 HRH3 (0.57) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL10532793 0.95 HRH3 (0.56) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL519168 0.93 DRD2 (0.58) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL9175694 0.91 PTGS2 (0.62) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL9175695 0.91 PTGS2 (0.62) HRH3DRD2DRD4DRD3KCNH2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107353209-B There are the two phenoxy group flexible molecules and its preparation method and application of high-affinity with A β plaque block 北京师范大学 2019-07-19 CN disclosed
CN-107353209-A There are two phenoxy group flexible molecules of high-affinity and its preparation method and application with A β plaque block 北京师范大学 2017-11-17 CN disclosed
WO-2008107320-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS CEREP (FR) 2008-09-12 WO disclosed
EP-0680472-A1 4,5-DIPHENYLIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ACYL COENZYME A: CHOLESTEROL-0-ACYL-TRANSFERASE (ACAT) INHIBITOR PHARMACIA & UPJOHN S.p.A. (IT) 1995-11-08 EP disclosed
WO-1995014673-A1 4,5-DIPHENYLIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ACYL COENZYME A: CHOLESTEROL-0-ACYL-TRANSFERASE (ACAT) INHIBITOR PHARMACIA S.P.A. (IT) 1995-06-01 WO disclosed