SCHEMBL9696435

SCHEMBL9696435

OC(c1nc2cccnc2n1Cc1ccc(F)cc1)C1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 1/20 0.46
LMNA P02545 3/20 0.46
NR4A2 P43354 1/20 0.45
KCNH2 Q12809 1/20 0.45
THRB P10828 2/20 0.45
HTR6 P50406 1/20 0.45
RXFP1 Q9HBX9 3/20 0.45
ENPP2 Q13822 7/20 0.44
PDE6D O43924 1/20 0.43

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
SCHEMBL9695626 0.84 KCNH2 (0.61) TP53NR4A2KCNH2PDE6D
SCHEMBL9535735 0.78 TP53 (0.51) TP53POLBMAPTLMNANR4A2
Hydrochloric Acid SCHEMBL9537452 0.77 TP53 (0.50) TP53POLBMAPTLMNANR4A2
Hydrochloric Acid SCHEMBL9741375 0.76 KCNH2 (0.70) TP53POLBMAPTLMNANR4A2
Hydrochloric Acid SCHEMBL11271768 0.76 KCNH2 (0.69) TP53POLBMAPTLMNANR4A2
SCHEMBL7897746 0.75 HTR3A (0.53) TP53LMNANR4A2KCNH2PDE6D
SCHEMBL9544483 0.72 KCNH2 (0.61) TP53NR4A2KCNH2PDE6D
SCHEMBL9696761 0.71 CYP2D6 (0.43) TP53MAPTKCNH2
SCHEMBL17966778 0.71 TP53 (0.54) TP53POLBMAPTLMNATHRB
SCHEMBL9258632 0.71 HRH1 (0.56) TP53KCNH2

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