SCHEMBL5808798

SCHEMBL5808798

CCCn1c(C)c(C)c2ccnc(OCC3CCCC3)c21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 8/20 0.39
HTR2C P28335 7/20 0.38
HTR2B P41595 7/20 0.38
HTR2A P28223 5/20 0.38
DRD2 P14416 1/20 0.38
HTR3A P46098 5/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CNR1 P21554 1/20 0.36
ACHE P22303 1/20 0.36
CNR2 P34972 1/20 0.36
HTR7 P34969 6/20 0.36
HTR1A P08908 3/20 0.36
HTR1D P28221 2/20 0.35
HTR5A P47898 1/20 0.35
HTR6 P50406 1/20 0.35
DYRK1A Q13627 1/20 0.35

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 SCHEMBL5811209 0.99 HTR4 (0.38) HTR4HTR2CHTR2BHTR2ADRD2
Hydrochloric Acid SCHEMBL5809057 0.87 TDP1 (0.36) HTR4HTR2CHTR2BHTR2ADRD2
SCHEMBL5811073 0.84 MAOA (0.36) MAOAMAOBCNR1ACHECNR2
Hydrochloric Acid SCHEMBL5808387 0.83 POLB (0.42) CNR1CNR2
SCHEMBL5811335 0.83 FABP4 (0.43) MAOAMAOBCNR1ACHECNR2
Hydrochloric Acid SCHEMBL5810817 0.83 MAOA (0.35) MAOAMAOBCNR1ACHECNR2
Hydrochloric Acid SCHEMBL5807167 0.82 MDM2 (0.38) MAOAMAOBCNR1ACHECNR2
Hydrochloric Acid SCHEMBL5807216 0.82 FABP4 (0.42) MAOAMAOBCNR1ACHECNR2
Hydrochloric Acid SCHEMBL5809688 0.81 KCNH2 (0.41) MAOAMAOBCNR1HTR6
SCHEMBL5806362 0.79 DYRK1A (0.46) HTR2CHTR2AMAOAACHEDYRK1A

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-2006025717-A1 PYRROLO[2,3-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO claimed