SCHEMBL7101497

SCHEMBL7101497

CCCCN(CCCC)CCOc1ccnc(N)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.50
HTR1B P28222 2/20 0.47
TLR8 Q9NR97 1/20 0.44
PIM1 P11309 3/20 0.43
HTR1D P28221 1/20 0.42
ATP4A P20648 4/20 0.40
ATP4B P51164 4/20 0.40
HRH3 Q9Y5N1 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
DRD3 P35462 1/20 0.40
SCN1A P35498 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
SCN2A Q99250 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
SCHEMBL6283547 0.85 NUDT1 (0.57) NUDT1TLR8
SCHEMBL18072508 0.82 NUDT1 (0.61) NUDT1TLR8PIM1HRH3LMNA
SCHEMBL30590643 0.81 HRH3 (0.56) NUDT1HTR1BPIM1HRH3PIM3
SCHEMBL18072382 0.76 NUDT1 (0.57) NUDT1TLR8PIM1HRH3
SCHEMBL11036646 0.75 NUDT1 (0.65) NUDT1TLR8PIM1HRH3LMNA
SCHEMBL18072383 0.74 NUDT1 (0.55) NUDT1TLR8PIM1HRH3
SCHEMBL31201109 0.74 NUDT1 (0.59) NUDT1HRH3
SCHEMBL31403790 0.72 NUDT1 (0.57) NUDT1PIM1HRH3
SCHEMBL31201204 0.70 NUDT1 (0.63) NUDT1TLR8HRH3
SCHEMBL28189689 0.69 NUDT1 (0.61) NUDT1TLR8HRH3

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-0751170-B1 Silicone derivatives, their production and use CHIBA FLOUR MILLING (JP) 2003-01-22 EP disclosed
US-5859243-A AMINOSILICONES HAVING PYRIMIDINYL GROUPS BOUND TO THE AMINO GROUPS; USED TO GEL SILICONE OIL OR TO INCREASE THE VISCOSITY STABLY AND HOMOGENEOUSLY; BASES FOR COSMETICS, DRUGS, INDUSTRIAL MATERIAL; FEEL; TEXTURE CHIBA FLOUR MILLING CO., LTD. (JP) 1999-01-12 US disclosed
US-5712391-A POLYSILOXANES MODIFIED WITH TRIAZINE GROUPS AND DIAMINE COMPOUNDS FOR COSMETICS CHIBA FLOUR MILLING CO., LTD. (JP) 1998-01-27 US disclosed
EP-0751170-A2 Silicone derivatives, their production and use Chiba Flour Milling Co., Ltd. (JP) 1997-01-02 EP disclosed