SCHEMBL5754417

SCHEMBL5754417

NC1CCN(C2=CC[CH]C=C2)CC1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.33
MEN1 O00255 1/20 0.33
HTR3B O95264 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
HTR3A P46098 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
AKT2 P31751 3/20 0.30
SSTR2 P30874 1/20 0.30
KIT P10721 1/20 0.30
GSK3B P49841 1/20 0.30

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
SCHEMBL2480855 0.76 HRH3 (0.34) MEN1KMT2AHRH3
SCHEMBL1900342 0.76 ALDH1A1 (0.31)
SCHEMBL695794 0.76 ALDH1A1 (0.31)
SCHEMBL2479136 0.76 NOTUM (0.33)
SCHEMBL2479690 0.74 HRH3 (0.34) MEN1KMT2AHRH3
SCHEMBL1993537 0.73 LMNA (0.36) MEN1CYP1A2ALOX15TSHRKMT2A
SCHEMBL187983 0.73 ADRB1 (0.36) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2483385 0.73 CASP1 (0.35)
SCHEMBL18403927 0.70 HTR3E (0.33) HTR3EMEN1HTR3BCYP1A2CYP2D6
SCHEMBL15903964 0.70 NOTUM (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654238-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2006-05-10 EP claimed
WO-2005009978-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2005-02-03 WO claimed
EP-1654238-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2006-05-10 EP disclosed
WO-2005009978-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2005-02-03 WO disclosed