SCHEMBL5811073

SCHEMBL5811073

C=CCn1c(C)c(C)c2ccnc(OCC3CCCC3)c21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CNR1 P21554 1/20 0.35
ACHE P22303 1/20 0.35
CNR2 P34972 1/20 0.35
CCNA2 P20248 2/20 0.31
CDK2 P24941 2/20 0.31
CCNA1 P78396 2/20 0.31
KDM4C Q9H3R0 1/20 0.31
POLB P06746 1/20 0.31
ACACB O00763 1/20 0.31
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
GRM4 Q14833 1/20 0.30
IRAK4 Q9NWZ3 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 SCHEMBL5810817 0.99 MAOA (0.35) MAOAMAOBCNR1ACHECNR2
Hydrochloric Acid SCHEMBL5807234 0.84 POLB (0.41) CNR2POLBTSHRGRM4IRAK4
SCHEMBL5808798 0.84 HTR4 (0.39) MAOAMAOBCNR1ACHECNR2
Hydrochloric Acid SCHEMBL5811209 0.83 HTR4 (0.38) MAOAMAOBCNR1ACHECNR2
Hydrochloric Acid SCHEMBL5809057 0.81 TDP1 (0.36) MAOAMAOBCNR1ACHECNR2
SCHEMBL5811335 0.81 FABP4 (0.43) MAOAMAOBCNR1ACHECNR2
Hydrochloric Acid SCHEMBL5807216 0.80 FABP4 (0.42) MAOAMAOBCNR1ACHECNR2
Hydrochloric Acid SCHEMBL5807167 0.80 MDM2 (0.38) MAOAMAOBCNR1ACHECNR2
Hydrochloric Acid SCHEMBL5809688 0.79 KCNH2 (0.41) MAOAMAOBCNR1POLB
SCHEMBL5811803 0.79 ALDH1A1 (0.34) MAOAPOLB

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