SCHEMBL9697155

SCHEMBL9697155

OC(c1nc2ncccc2n1Cc1ccc(F)cc1)C1CCN(CCNc2ncccn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.41
HTR2C P28335 4/20 0.41
HTR7 P34969 2/20 0.41
KCNH2 Q12809 2/20 0.39
NR4A2 P43354 1/20 0.39
SSTR5 P35346 2/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR1A P08908 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
CFTR P13569 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
HTR6 P50406 1/20 0.38
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2B P18089 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
SCHEMBL9697130 0.90 KCNH2 (0.48) HTR2AHTR2CHTR7KCNH2NR4A2
SCHEMBL9697219 0.87 HTR2A (0.44) HTR2AHTR2CHTR7KCNH2NR4A2
SCHEMBL9696761 0.85 CYP2D6 (0.43) HTR2AHTR2CHTR7KCNH2HTR3E
SCHEMBL9696476 0.84 HTR2A (0.46) HTR2AHTR2CHTR7KCNH2NR4A2
SCHEMBL9696669 0.82 HRH1 (0.55) HTR2AHTR2CHTR7KCNH2SSTR5
SCHEMBL10551207 0.81 SSTR5 (0.58) HTR2AHTR2CHTR7KCNH2NR4A2
SCHEMBL9537882 0.81 SLC6A9 (0.41) HTR2CKCNH2NR4A2SSTR5HTR3E
Oxalic Acid SCHEMBL9538518 0.79 GRIN2B (0.41) SSTR5OPRK1TP53
Oxalic Acid SCHEMBL9538513 0.79 GRIN2B (0.41) SSTR5OPRK1TP53
Oxalic Acid SCHEMBL10802671 0.79 GRIN2B (0.41) SSTR5OPRK1TP53

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-1992006086-A1 NOVEL 4-PIPERIDINYLCARBONYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-04-16 WO disclosed