SCHEMBL5024252

SCHEMBL5024252

Nc1nnc(C(F)(F)F)cc1C1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.44
PLAT P00750 2/20 0.39
APP P05067 1/20 0.39
HRH4 Q9H3N8 1/20 0.37
PTPN5 P54829 1/20 0.36
IKBKB O14920 2/20 0.36
HTR1A P08908 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
RPS6KA3 P51812 1/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
NOTUM Q6P988 1/20 0.34
HTR6 P50406 1/20 0.33

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
SCHEMBL29850012 0.70 FEN1 (0.37) HRH4
SCHEMBL21138823 0.68 ADRB2 (0.56) HTR2CAPPHTR1ASLC6A2SLC6A4
SCHEMBL22776499 0.67 IKBKB (0.42) HTR2CHRH4IKBKBRPS6KA3KMT2A
SCHEMBL18081223 0.67 IKBKB (0.65) IKBKB
SCHEMBL16845857 0.67 KMT2A (0.56) HTR2CPLATMEN1POLBKMT2A
SCHEMBL30541520 0.67 HTR2C (0.41) HTR2CHRH4IKBKBHTR1ASLC6A2
SCHEMBL17450033 0.67 HTR2C (0.56) HTR2CPTPN5MEN1POLBKMT2A
SCHEMBL14321224 0.67 HTR2C (0.61) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL18038833 0.66 IKBKB (0.64) IKBKB
Hydrochloric Acid SCHEMBL18038706 0.66 IKBKB (0.64) IKBKB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943242-A1 PIPERIDIN-4-YL-PYRIDAZIN-3-YLAMINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-16 EP disclosed
WO-2007048779-A1 PIPERIDIN-4-YL-PYRIDAZIN-3-YLAMINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 WO disclosed