SCHEMBL10428487

SCHEMBL10428487

O=C1CCc2ccc(OCCCN3CCN(c4cccc(Cl)c4)CC3)cc2N1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.77
MAOA P21397 8/20 0.69
DRD3 P35462 4/20 0.69
DRD4 P21917 3/20 0.69
HTR1A P08908 2/20 0.69
DRD1 P21728 2/20 0.69
DRD5 P21918 2/20 0.69
HTR2A P28223 2/20 0.69
HTR2C P28335 2/20 0.69
HTR2B P41595 2/20 0.69
HTR3E A5X5Y0 1/20 0.69
MEN1 O00255 1/20 0.69
MLNR O43193 1/20 0.69
HTR3B O95264 1/20 0.69
ABCB11 O95342 1/20 0.69
ESR1 P03372 1/20 0.69
PGR P06401 1/20 0.69
ADRB2 P07550 1/20 0.69
CHRM2 P08172 1/20 0.69
ABCB1 P08183 1/20 0.69

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
SCHEMBL13532793 0.97 DRD2 (0.82) DRD2MAOADRD3DRD4HTR1A
SCHEMBL10428512 0.94 DRD2 (0.68) DRD2MAOADRD3DRD4HTR1A
SCHEMBL23097691 0.93 DRD2 (0.67) DRD2MAOADRD3DRD4HTR1A
SCHEMBL10428627 0.90 DRD2 (0.76) DRD2MAOADRD3DRD4HTR1A
SCHEMBL10571607 0.90 DRD2 (0.94) DRD2MAOADRD3DRD4MAOB
SCHEMBL10428737 0.89 DRD2 (0.81) DRD2MAOADRD3DRD4MAOB
SCHEMBL10428495 0.89 DRD2 (0.78) DRD2MAOADRD3DRD4HTR1A
SCHEMBL10572644 0.89 DRD2 (0.75) DRD2MAOADRD3DRD4HTR1A
SCHEMBL10428566 0.89 DRD2 (0.75) DRD2MAOADRD3DRD4HTR1A
Hydrochloric Acid SCHEMBL10572620 0.89 DRD2 (0.92) DRD2MAOADRD3DRD4MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4914094-A CARBOSTYRIC OR BENZOXAZINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-04-03 US claimed
US-4734416-A ANTIHISTAMINES, CENTRAL NERVOUS SYSTEM CONTROLLING ACTION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-03-29 US claimed
EP-0226441-A2 Preparation of pharmaceutical compositions for the treatment of hypoxia OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-06-24 EP claimed
US-4914094-A CARBOSTYRIC OR BENZOXAZINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-04-03 US disclosed
US-4824840-A ANTIHISTAMINES, NERVOUS SYSTEM CONTROLLERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-04-25 US disclosed
US-4734416-A ANTIHISTAMINES, CENTRAL NERVOUS SYSTEM CONTROLLING ACTION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-03-29 US disclosed
EP-0226441-A2 Preparation of pharmaceutical compositions for the treatment of hypoxia OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-06-24 EP disclosed