SCHEMBL6995013

SCHEMBL6995013

Cc1nc(Cl)nc(N2CCc3ccccc3[C@H]2C)c1C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.39
LIPE Q05469 1/20 0.37
SPR P35270 3/20 0.34
PRCP P42785 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
LMNA P02545 1/20 0.33
AHR P35869 1/20 0.33
GRM5 P41594 1/20 0.32
MAPK1 P28482 1/20 0.32
AKR1C3 P42330 1/20 0.32
CHRNA7 P36544 1/20 0.32
RIPK1 Q13546 1/20 0.32

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
SCHEMBL7000740 1.00 DRD1 (0.39) DRD1LIPESPRPRCPTRPM8
SCHEMBL6957781 1.00 DRD1 (0.39) DRD1LIPESPRPRCPTRPM8
SCHEMBL15672478 0.87 DRD1 (0.36) DRD1LIPESPRPRCPTRPM8
SCHEMBL6989000 0.85 DRD1 (0.39) DRD1LIPESPRPRCPTRPM8
SCHEMBL6157859 0.85 HTR2A (0.37)
SCHEMBL6159540 0.85 HTR2A (0.36)
SCHEMBL17779787 0.85 HRH4 (0.38) DRD1LIPESPRPRCPLMNA
SCHEMBL6157563 0.83 HTR2A (0.36)
SCHEMBL6160361 0.83 ESR1 (0.34)
SCHEMBL6958205 0.83 DRD1 (0.37) DRD1LIPESPRPRCPTRPM8

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 4 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
EP-0775120-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 1997-05-28 EP disclosed
WO-1996005177-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 1996-02-22 WO disclosed