SCHEMBL7332019

SCHEMBL7332019

Nc1ccc(Cl)cc1C(=O)NCCCCN1CC=C(c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.53
DRD3 P35462 1/20 0.51
SIGMAR1 Q99720 5/20 0.50
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
PARP1 P09874 2/20 0.47
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
SLC6A4 P31645 1/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45

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
SCHEMBL7343150 0.92 HTR1A (0.53) HTR1ADRD3SIGMAR1KDM4ELMNA
SCHEMBL7289555 0.88 HTR1A (0.57) HTR1ADRD3SIGMAR1DRD2DRD4
SCHEMBL7287704 0.88 HTR1A (0.54) HTR1ADRD3SIGMAR1KDM4ELMNA
SCHEMBL7295734 0.87 MAPT (0.52) HTR1ADRD3SIGMAR1MAPT
SCHEMBL7289185 0.85 DRD3 (0.55) HTR1ADRD3SIGMAR1KDM4EDRD2
SCHEMBL7298208 0.83 DRD3 (0.49) HTR1ADRD3SIGMAR1LMNAMAPT
SCHEMBL7290257 0.82 HTR1A (0.56) HTR1ADRD3SIGMAR1KDM4EDRD2
SCHEMBL7298721 0.81 HTR1A (0.56) HTR1ADRD3SIGMAR1KDM4ELMNA
SCHEMBL11827010 0.81 HTR1A (0.53) HTR1ADRD3SIGMAR1DRD2
SCHEMBL7295751 0.80 HTR1A (0.57) HTR1ADRD3SIGMAR1DRD2

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
EP-0436157-B1 Quinazoline derivatives and their preparation FUJISAWA PHARMACEUTICAL CO (JP) 1995-08-23 EP disclosed
US-5296487-A Dopamine antagonist for nervous system disorders FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-03-22 US disclosed
US-5264438-A Dopamine receptor agonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-11-23 US disclosed
CN-1053063-A Quinazoline derivant and preparation method thereof FUJISAWA PHARMACEUTICAL CO (JP) 1991-07-17 CN disclosed
EP-0436157-A1 Quinazoline derivatives and their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-07-10 EP disclosed