SCHEMBL9836728

SCHEMBL9836728

NCCCCN1CCCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.67
DRD3 P35462 6/20 0.67
ADRA1B P35368 1/20 0.57
P2RX7 Q99572 6/20 0.55
SIGMAR1 Q99720 1/20 0.54

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
SCHEMBL10760285 0.96 DRD2 (0.64) DRD2DRD3ADRA1BP2RX7SIGMAR1
SCHEMBL3631349 0.94 DRD2 (0.63) DRD2DRD3ADRA1BP2RX7SIGMAR1
SCHEMBL4249527 0.90 DRD3 (0.61) DRD2DRD3ADRA1BP2RX7SIGMAR1
SCHEMBL20329228 0.86 DRD3 (0.68) DRD2DRD3
SCHEMBL4249388 0.83 LMNA (0.60) DRD2DRD3ADRA1BP2RX7SIGMAR1
SCHEMBL27340092 0.82 DRD3 (0.66) DRD2DRD3
SCHEMBL9253472 0.82 DRD3 (0.66) DRD2DRD3
SCHEMBL10367443 0.81 DRD3 (0.60) DRD2DRD3
SCHEMBL9249869 0.79 ACHE (0.68) DRD2DRD3ADRA1BP2RX7
SCHEMBL7381976 0.79 DRD2 (0.68) DRD2DRD3ADRA1BP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0210782-B1 PYRIDINE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 1991-04-17 EP disclosed
US-4778796-A ω-(3-pyridyl)alkenamide derivatives and anti-allergenic pharmaceutical compositions containing same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1988-10-18 US disclosed
EP-0210782-A2 Pyridine compounds, process for the preparation thereof and pharmaceutical composition containing the same Dainippon Pharmaceutical Co., Ltd. (JP) 1987-02-04 EP disclosed