SCHEMBL3718773

SCHEMBL3718773

Cc1ccc2cccnc2c1OC1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
SLC6A4 P31645 4/20 0.45
HTR1A P08908 4/20 0.45
SLC6A2 P23975 4/20 0.45
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
PIM1 P11309 2/20 0.40
PIM2 Q9P1W9 2/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
CCR1 P32246 2/20 0.40
CCR5 P51681 2/20 0.40
CCR8 P51685 2/20 0.40
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HRH1 P35367 1/20 0.40

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
SCHEMBL3709451 0.84 IKBKB (0.42) LMNASLC6A4HTR1ASLC6A2TMEM97
SCHEMBL11073267 0.77 SLC6A2 (0.49) SLC6A4HTR1ASLC6A2HTR2AHTR2C
SCHEMBL3715640 0.77 DDB1 (0.53) SLC6A4HTR1ASLC6A2PIM1PIM2
SCHEMBL28559635 0.76 ACVR1B (0.50) TMEM97SIGMAR1PIM1PIM2HRH1
SCHEMBL3714344 0.76 SLC6A2 (0.44) SLC6A4HTR1ASLC6A2TMEM97SIGMAR1
SCHEMBL18318864 0.75 ACVR1B (0.47) LMNATMEM97SIGMAR1KDM4EMAPT
Hydrochloric Acid SCHEMBL18319163 0.75 ACVR1B (0.49) TMEM97SIGMAR1PIM1PIM2HRH1
SCHEMBL3781660 0.75 TMEM97 (0.55) LMNASLC6A4HTR1ASLC6A2TMEM97
Hydrochloric Acid SCHEMBL18318672 0.74 ACVR1B (0.46) LMNATMEM97SIGMAR1KDM4EMAPT
SCHEMBL18318482 0.74 ACVR1B (0.41) LMNATMEM97SIGMAR1PIM1PIM2

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
WO-2010094643-A1 QUINOLINE DERIVATIVES AND THEIR USES FOR RHINITIS AND URTICARIA GLAXO GROUP LIMITED (GB) 2010-08-26 WO disclosed