SCHEMBL9696476

SCHEMBL9696476

OC(c1nc2ncccc2n1Cc1ccc(F)cc1)C1CCN(CCc2ccccn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.46
HTR2C P28335 3/20 0.46
HTR7 P34969 2/20 0.46
KCNH2 Q12809 2/20 0.43
NR4A2 P43354 1/20 0.43
SSTR5 P35346 1/20 0.43
HTR6 P50406 1/20 0.41
HRH1 P35367 3/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 1/20 0.41
DRD1 P21728 1/20 0.41
ADRA1B P35368 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
KCNQ1 P51787 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
TACR2 P21452 1/20 0.40
TACR1 P25103 1/20 0.40
PABPC1 P11940 1/20 0.40
PRCP P42785 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
SCHEMBL9697219 0.87 HTR2A (0.44) HTR2AHTR2CHTR7KCNH2NR4A2
SCHEMBL9696669 0.85 HRH1 (0.55) HTR2AHTR2CHTR7KCNH2SSTR5
SCHEMBL9696761 0.85 CYP2D6 (0.43) HTR2AHTR2CHTR7KCNH2HRH1
SCHEMBL9697155 0.84 HTR2A (0.41) HTR2AHTR2CHTR7KCNH2NR4A2
SCHEMBL9697130 0.77 KCNH2 (0.48) HTR2AHTR2CHTR7KCNH2NR4A2
SCHEMBL9695586 0.76 KCNH2 (0.51) HTR2AHTR2CHTR7KCNH2NR4A2
SCHEMBL9445676 0.75 HRH1 (0.68) HTR2AHTR2CHTR7KCNH2NR4A2
SCHEMBL9695625 0.75 HRH1 (0.48) HTR2AHTR2CKCNH2HRH1
SCHEMBL9537288 0.74 SSTR5 (0.53) HTR2AHTR2CHTR7KCNH2NR4A2
SCHEMBL9258632 0.73 HRH1 (0.56) KCNH2HRH1

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