SCHEMBL9665012

SCHEMBL9665012

c1ccc(C2CCCc3c2[nH]c2ccccc32)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD3 Q15059 1/20 0.65
HTR7 P34969 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C19 P33261 1/20 0.59
RB1 P06400 7/20 0.57
SIRT1 Q96EB6 2/20 0.57
SIRT2 Q8IXJ6 1/20 0.57
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
MAPKAPK2 P49137 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
ABCB1 P08183 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47

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
SCHEMBL9610870 1.00 BRD3 (0.65) BRD3HTR7CYP3A4CYP2D6CYP2C19
SCHEMBL9610867 1.00 BRD3 (0.65) BRD3HTR7CYP3A4CYP2D6CYP2C19
SCHEMBL11823184 0.83 DRD2 (0.58) HTR7CYP3A4CYP2D6CYP2C19ADRA1D
SCHEMBL18648563 0.83 BRD3 (0.52) BRD3HTR7CYP3A4CYP2D6CYP2C19
SCHEMBL4151748 0.83 CYP2D6 (0.66) BRD3CYP2D6SIRT1
SCHEMBL5259416 0.81 HTR7 (0.67) BRD3HTR7RB1SIRT1ABCB1
SCHEMBL8503944 0.80 HTR7 (0.62) BRD3HTR7CYP3A4CYP2D6CYP2C19
SCHEMBL16926961 0.79 BRD3 (0.58) BRD3HTR7CYP3A4CYP2D6CYP2C19
SCHEMBL5254390 0.79 BRD3 (0.58) BRD3HTR7RB1SIRT1SIRT2
SCHEMBL1877922 0.79 BRD3 (0.67) BRD3HTR7CYP3A4CYP2D6CYP2C19

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
EP-0073849-A1 Novel phenyl-1,2,3,4-tetrahydrocarbazoles, their preparation and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1983-03-16 EP claimed
EP-0376155-B1 N-PYRIDINYL-9H-CARBAZOL-9-AMINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-08-05 EP disclosed
EP-0073849-A1 Novel phenyl-1,2,3,4-tetrahydrocarbazoles, their preparation and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1983-03-16 EP disclosed
EP-0073849-A1 Novel phenyl-1,2,3,4-tetrahydrocarbazoles, their preparation and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1983-03-16 EP disclosed
EP-0073849-A1 Novel phenyl-1,2,3,4-tetrahydrocarbazoles, their preparation and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1983-03-16 EP disclosed
US-4292323-A Phenyl-1,2,3,4-tetrahydrocarbazoles and use thereof SCHERING CORPORATION (US) 1981-09-29 US disclosed
US-4292323-A Phenyl-1,2,3,4-tetrahydrocarbazoles and use thereof SCHERING CORPORATION (US) 1981-09-29 US disclosed