SCHEMBL6989000

SCHEMBL6989000

CCc1nc(Cl)nc(N2CCc3ccccc3C2C)c1C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.39
PRCP P42785 2/20 0.34
LIPE Q05469 1/20 0.34
HTR1A P08908 2/20 0.33
SPR P35270 3/20 0.32
MAPK1 P28482 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
PRMT5 O14744 1/20 0.31
AHR P35869 1/20 0.31

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
SCHEMBL6958205 0.88 DRD1 (0.37) DRD1PRCPLIPESPRMAPK1
SCHEMBL6995013 0.85 DRD1 (0.39) DRD1PRCPLIPESPRMAPK1
SCHEMBL6957781 0.85 DRD1 (0.39) DRD1PRCPLIPESPRMAPK1
SCHEMBL7000740 0.85 DRD1 (0.39) DRD1PRCPLIPESPRMAPK1
SCHEMBL8568770 0.82 DRD1 (0.40) DRD1PRCPLIPEHTR1ASPR
Hydrochloric Acid SCHEMBL6994238 0.81 L3MBTL1 (0.36) DRD1PRCP
SCHEMBL7000866 0.80
Hydrochloric Acid SCHEMBL6994237 0.79 NPC1 (0.35) MAPK1
SCHEMBL7000651 0.78 MEN1 (0.37) MAPK1
SCHEMBL8570891 0.78 DRD1 (0.37) DRD1PRCPLIPEHTR1ASPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775120-B1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2003-06-04 EP disclosed
US-5750531-A ANTISECRETORY AGENTS FOR THE TREATMENT OF PEPTIC ULCER YUHAN CORPORATION (KR) 1998-05-12 US disclosed