SCHEMBL7779077

SCHEMBL7779077

COc1cccc(C(=O)NCCCN2CC3CC(c4ccccc4)C3C2)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.57
DRD4 P21917 11/20 0.56
DRD2 P14416 9/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
NAMPT P43490 1/20 0.52
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MCHR1 Q99705 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49

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
SCHEMBL7778689 0.92 DRD4 (0.55) CCR3DRD4DRD2L3MBTL1NAMPT
SCHEMBL7781191 0.87 KDM4E (0.52) CCR3DRD4DRD2SLC6A2SLC6A4
SCHEMBL7778614 0.82 POLB (0.65) L3MBTL1
SCHEMBL8989722 0.80 DRD4 (0.55) CCR3DRD4DRD2L3MBTL1CYP2C9
SCHEMBL7778722 0.80 KDM1A (0.50) SLC6A2SLC6A4
SCHEMBL8989753 0.80 CCR3 (0.50) CCR3DRD4DRD2NAMPT
SCHEMBL7781120 0.80 CCR3 (0.53) CCR3DRD4DRD2NAMPTSLC6A2
SCHEMBL8989765 0.80 SIGMAR1 (0.58) DRD4DRD2NAMPTSLC6A2SLC6A4
SCHEMBL14430686 0.76 DRD4 (0.70) CCR3DRD4DRD2CYP2C9CYP2C19
SCHEMBL7781812 0.75 POLB (0.62) CCR3L3MBTL1

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-1133293-A1 USE OF N-SUBSTITUTED AZABICYCLOALKANE DERIVATIVES FOR TREATING DISEASES OF THE CENTRAL NERVOUS SYSTEM BASF AKTIENGESELLSCHAFT (DE) 2001-09-19 EP disclosed
WO-2000030639-A1 USE OF N-SUBSTITUTED AZABICYCLOALKANE DERIVATIVES FOR TREATING DISEASES OF THE CENTRAL NERVOUS SYSTEM BASF AKTIENGESELLSCHAFT (DE) 2000-06-02 WO disclosed
EP-0646110-B1 N-SUBSTITUTED 3-AZABICYCLO[3.2.0]HEPTANE DERIVATIVES USEFUL AS NEUROLEPTIC AGENTS BASF AG (DE) 1996-10-23 EP disclosed
US-5521209-A N-substituted azabicyclo[3.2.0]heptane derivatives as neuroleptics, the preparation and use thereof BASF AKTIENGESELLSCHAFT (DE) 1996-05-28 US disclosed