SCHEMBL6440586

SCHEMBL6440586

NC(=O)c1nc2n(c1C(N)=O)CCc1ccccc1C21CCNCC1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.66
HTR2A P28223 4/20 0.41
HTR2C P28335 3/20 0.36
DRD2 P14416 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
HTR2B P41595 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
NAMPT P43490 1/20 0.30
PARP1 P09874 1/20 0.30
PARP2 Q9UGN5 1/20 0.30
BTK Q06187 1/20 0.30

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
Hydrochloric Acid SCHEMBL6030979 0.98 HRH1 (0.65) HRH1HTR2AHTR2CDRD2SLC6A2
SCHEMBL6030410 0.81 HRH1 (0.44) HRH1PARP1
Vapitadine SCHEMBL29379463 0.79 HRH1 (1.00) HRH1HTR2AHTR2CDRD2SLC6A2
Vapitadine SCHEMBL6440903 0.79 HRH1 (1.00) HRH1HTR2AHTR2CDRD2SLC6A2
Vapitadine SCHEMBL3463472 0.78 HRH1 (1.00) HRH1HTR2AHTR2CDRD2SLC6A2
SCHEMBL6031354 0.75 HRH1 (0.51) HRH1HTR2AHTR2CDRD2SLC6A2
Hydrochloric Acid SCHEMBL6440622 0.74 HRH1 (0.73) HRH1HTR2AHTR2CDRD2SLC6A2
SCHEMBL6031770 0.71 HRH1 (0.47) HRH1HTR2A
SCHEMBL6030956 0.70 HRH1 (0.66) HRH1HTR2AHTR2CDRD2SLC6A2
SCHEMBL6031761 0.70 HRH1 (0.49) HRH1HTR2AHTR2CDRD2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144411-B1 ANTIHISTAMINIC SPIRO COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2005-04-27 EP claimed