SCHEMBL6166219

SCHEMBL6166219

O=C(O)N1CCC(c2nc(-c3ccc(F)cc3)c[nH]2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 5/20 0.49
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 4/20 0.40
NAMPT P43490 2/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.40
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38

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
SCHEMBL6168951 0.89 HTR2B (0.51) HTR2B
SCHEMBL6169490 0.87 GRM5 (0.45) HTR2BRAB9ANPC1ATMLMNA
SCHEMBL15732495 0.87 P2RY14 (0.41) HTR2BLMNASMN1; SMN2KCNH2HTT
SCHEMBL6168647 0.86 HTR2B (0.41) HTR2BRAB9ANPC1LMNASMN1; SMN2
SCHEMBL1299004 0.85 HTR2B (0.62) HTR2BRAB9ANPC1ATMSMN1; SMN2
SCHEMBL6166669 0.84 ABL1 (0.41) HTR2BLMNAHPGDHTTGAA
SCHEMBL6168935 0.84 HTR2B (0.48) HTR2BRAB9ANPC1LMNATSHR
SCHEMBL3376376 0.83 KMO (0.45) KCNH2
SCHEMBL6168833 0.83 HTT (0.51) TSHRSMN1; SMN2HPGDKDM4EHTT
SCHEMBL15824768 0.82 PTGS1 (0.43) HTR2BRAB9ANPC1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349850-B1 SODIUM CHANNEL MODULATORS DERIVED FROM 2-PIPERIDYLIMIDAZOLES SOD CONSEILS RECH APPLIC (FR) 2005-09-07 EP claimed
EP-1349850-A1 SODIUM CHANNEL MODULATORS DERIVED FROM 2-PIPERIDYLIMIDAZOLES Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2003-10-08 EP claimed
WO-2002053559-A1 SODIUM CHANNEL MODULATORS DERIVED FROM 2-PIPERIDYLIMIDAZOLES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-07-11 WO claimed
EP-1349850-A1 SODIUM CHANNEL MODULATORS DERIVED FROM 2-PIPERIDYLIMIDAZOLES Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2003-10-08 EP disclosed
WO-2002053559-A1 SODIUM CHANNEL MODULATORS DERIVED FROM 2-PIPERIDYLIMIDAZOLES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-07-11 WO disclosed