SCHEMBL3733142

SCHEMBL3733142

Cc1nc2n(c1C)Cc1ccccc1CC2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.41
ALOX15 P16050 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
KDM4E B2RXH2 6/20 0.38
HSD17B10 Q99714 5/20 0.38
HPGD P15428 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.38
TOP2A P11388 1/20 0.37
TOP2B Q02880 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL626907 0.73 KDM4E (0.50) HTR2AHTR2CHRH1HTR2BKDM4E
SCHEMBL3727605 0.73 HTR2A (0.39) RXFP1HTR2AHTR2CHRH1HTR2B
SCHEMBL3726191 0.71 HTR2A (0.39) RXFP1ALOX15HTR2AHTR2CHRH1
SCHEMBL3733684 0.70 HTR2A (0.39) RXFP1ALOX15HTR2AHTR2CHRH1
SCHEMBL13048440 0.67 HTR2A (0.39) RXFP1HTR2AHTR2CHRH1HTR2B
SCHEMBL3729119 0.66 HRH1 (0.44) RXFP1HTR2AHTR2CHRH1HTR2B
SCHEMBL14441607 0.65 CYP1A2 (0.67) KDM4EHPGDALDH1A1CYP1A2BCHE
SCHEMBL31392781 0.65 CYP1A2 (0.67) KDM4EHPGDALDH1A1CYP1A2BCHE
SCHEMBL10376481 0.62 ALOX15 (0.48) RXFP1ALOX15HTR2AHRH1HTR2B
SCHEMBL12510367 0.62 ALOX15 (0.41) RXFP1ALOX15HTR2AHRH1HTR2B

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
WO-2010142652-A1 IMIDAZOBENZAZEPINE COMPOUNDS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM (CNS) DISEASES GLAXO GROUP LIMITED (GB) 2010-12-16 WO disclosed
WO-2010142652-A1 IMIDAZOBENZAZEPINE COMPOUNDS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM (CNS) DISEASES GLAXO GROUP LIMITED (GB) 2010-12-16 WO disclosed